Information card for entry 8100686

Structure parameters

• Formula: C23 H23 N2 P S
• Calculated formula: C23 H23 N2 P S
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)\C=C\N(C)C.N#C[S-]
• Title of publication: Crystal structure of (N,N-dimethylvinyl)triphenylphosphonium thiocyanate, [(CH~3~)~2~N(C~2~H<B>~2</B>~)P(C~6~H~5~)~3~](SCN)
• Authors of publication: Yapo, Y. M.; Tenon, J. A.; Aycard, J. P.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 3
• Pages of publication: 389 - 390
• a: 11.116 ± 0.004 Å
• b: 12.099 ± 0.003 Å
• c: 15.458 ± 0.003 Å
• α: 90°
• β: 96.79 ± 0.05°
• γ: 90°
• Cell volume: 2064.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No