2010
DOI: 10.1107/s0021889810000452
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Abstract: The new web-based application WebCSD is introduced, which provides a range of facilities for searching the Cambridge Structural Database within a standard web browser. Search options within WebCSD include two-dimensional substructure, molecular similarity, text/numeric and reduced cell searching.

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Cited by 121 publications
(134 citation statements)
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References 27 publications
(23 reference statements)
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“…Once again, the compound shows a relatively relaxed acenaphthene backbone, with a P9-C9···C1-P1 torsion angle of only 4.0(1)°. The P1-P9 distance of 2.229(1) Å is typical of a P-P single bond [24] and is very similar to that observed in previously published peri-substituted phosphino-phosphonium salts. [31] In addition to X-ray diffraction, 1 H, 31 P and 31 P{ 1 H} NMR; 2b was further characterised by 13 C{ 1 H} and 11 B NMR spectroscopy, Raman spectroscopy, ES MS and elemental analysis.…”
Section: Synthesis Of Phosphanylidene-phosphorane 3bsupporting
confidence: 86%
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“…Once again, the compound shows a relatively relaxed acenaphthene backbone, with a P9-C9···C1-P1 torsion angle of only 4.0(1)°. The P1-P9 distance of 2.229(1) Å is typical of a P-P single bond [24] and is very similar to that observed in previously published peri-substituted phosphino-phosphonium salts. [31] In addition to X-ray diffraction, 1 H, 31 P and 31 P{ 1 H} NMR; 2b was further characterised by 13 C{ 1 H} and 11 B NMR spectroscopy, Raman spectroscopy, ES MS and elemental analysis.…”
Section: Synthesis Of Phosphanylidene-phosphorane 3bsupporting
confidence: 86%
“…The compound displays minimal distortion of the acenaphthene backbone, with a P9-C9···C1-As1 torsion angle of only 6.3(2)°. The P-As distance of 2.325(1) Å is consistent with a P-As single bond [24] and is somewhat longer than that found in 3a (2.262(2) Å), [23] consistent with the higher bond order in the arsanylidene-phosphorane. The bond angles about arsenic are all rather acute, suggesting that the lone pair at arsenic has significant s-character.…”
Section: Synthesis Of Arsanylidene-phosphorane 3asupporting
confidence: 69%
“…In the focus of such searches are geometrical parameters among nonbonded molecules or fragments (Fig. 10) 11,12) showed good agreement with those previously described. The use of CSD in crystal engineering and supramolecular chemistry has been widely documented.…”
Section: -24supporting
confidence: 65%
“…4). A Web implementation, WebCSD, is also available, 12 which offers fast searching of the CSD using only a standard Internet browser. The CCDC program Mercury -the crystal structure visualizer, has been significantly changed and improved.…”
Section: Software Developed By the Ccdc To Functionalise The Use Of Tmentioning
confidence: 99%
“…The software for searching crystal structure knowledge provided by the CCDC, such as ConQuest and Mercury, has been focused on providing sophisticated and flexible tools for crystallographers, structural chemists and the drug design community [24] [25].…”
Section: Cambridge Structural Data Base Software Packagementioning
confidence: 99%