Multiple spectrometer control by computer

Beaucage, D.R.; Kelley, M.; Ophir, Dan; Rankowitz, S.; Spinrad, R. J.; Norton, Roy

doi:10.1016/0029-554x(66)90111-x

Cited by 40 publications

(14 citation statements)

References 4 publications

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“…The pin was then mounted on a computer-controlled four-circle diffractometer (17) at the Brookhaven National Laboratory High Flux Beam Reactor such that the [100] direction was nearly parallel with the diffractometer phi axis. The thermal neutron flux at the crystal was approximately 4 X 106 n cm-2 sec'-, and a wavelength (A) of 1.0142 A was selected by means of a Ge(311) crystal monochromator.…”

Section: Methodsmentioning

confidence: 99%

Neutron Diffraction Structure of Melampodin: Its Role in the Reclassification of the Germacranolides

Watkins

Fischer

Bernal

1973

Proc. Natl. Acad. Sci. U.S.A.

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The precise crystal and molecular structure of melampodin, C 21 H 24 O 9 , was determined from three-dimensional neutron diffraction data collected by counter techniques and phases by direct statistical methods. Crystals are orthorhombic, P2 1 2 1 2 1 , a = 8,990(9), b = 14.352(14), c = 16.294(16) Å, V = 2102 Å 3 , d(calc.) = 1.328 g·cm -3 , Z = 4 molecules per unit cell. The structural model was refined by full matrix least-squares of 2303 observed independent reflections, with all 54 atoms treated anisotropically, to R(F) = 5.0%. Hydrogen bonds link melampodin molecules together in the solid state. The conformation of the cyclodeca-1,5-diene ring is such that one intraannular hydrogen atom interacts strongly with one double bond, but there is little or no transannular interaction between double bonds. Strain in the ten-membered ring and in the trans -fused lactone ring is discussed, as are chemical implications of the unsymmetric epoxide in the epoxyangelic acid side chain. The previously suggested reclassification of germacranolide sesquiterpene lactones into four subgroups is supported, and a new convention for configurational representations of the four subgroups is proposed.

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Section: Methodsmentioning

confidence: 99%

Neutron Diffraction Structure of Melampodin: Its Role in the Reclassification of the Germacranolides

Watkins

Fischer

Bernal

1973

Proc. Natl. Acad. Sci. U.S.A.

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“…The neutron wavelength was 1.035 A. Intensity data were collected automatically under computer control (Beaucage, Kelley, Ophir, Rankowitz, Spinrad & van Norton, 1966). A region of reciprocal space extending out to sin 0/2=0.685A -1 was examined using a 0-20 step-scan technique.…”

Section: Data Collection and Reductionmentioning

confidence: 99%

Precision neutron diffraction structure determination of protein and nucleic acid components. III. The crystal and molecular structure of the amino acid α-glycine

Jönsson¹,

Kvick²

1972

Acta Crystallogr B Struct Crystallogr Cryst Chem

392

201

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“…The intensity data were collected at Brookhaven National Laboratory high-flux beam reactor, using a computer-controlled (Bednowitz, Coppens & Hamilton, 1966) Multi-Spectrometer Control System (Beaucage, Kelley, Ophir, Rankowitz, Spinrad & van Norton, 1966). A 0-20 scan technique was applied.…”

Section: Intensity Measurementsmentioning

confidence: 99%

A neutron diffraction study of barium thiosulphate monohydrate, BaS₂O₃.H₂O

Manojlović-Muir¹

1975

Acta Crystallogr Sect B

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Multiple spectrometer control by computer

Cited by 40 publications

References 4 publications

Neutron Diffraction Structure of Melampodin: Its Role in the Reclassification of the Germacranolides

Neutron Diffraction Structure of Melampodin: Its Role in the Reclassification of the Germacranolides

Precision neutron diffraction structure determination of protein and nucleic acid components. III. The crystal and molecular structure of the amino acid α-glycine

A neutron diffraction study of barium thiosulphate monohydrate, BaS₂O₃.H₂O

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Multiple spectrometer control by computer

Cited by 40 publications

References 4 publications

Neutron Diffraction Structure of Melampodin: Its Role in the Reclassification of the Germacranolides

Neutron Diffraction Structure of Melampodin: Its Role in the Reclassification of the Germacranolides

Precision neutron diffraction structure determination of protein and nucleic acid components. III. The crystal and molecular structure of the amino acid α-glycine

A neutron diffraction study of barium thiosulphate monohydrate, BaS2O3.H2O

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A neutron diffraction study of barium thiosulphate monohydrate, BaS₂O₃.H₂O