Information card for entry 8100271

Structure parameters

• Formula: C22 H18 N3 P
• Calculated formula: C22 H18 N3 P
• SMILES: c1(ccccc1)P(c1ccccc1)N(c1ccccn1)c1ccccn1
• Title of publication: Crystal structure of diphenyl-2,2'-dipyridylamidophosphane, C~22~H~18~N~3~P
• Authors of publication: Kempe, Rhett; Schareina, Thomas
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 1
• Pages of publication: 99 - 100
• a: 8.998 ± 0.002 Å
• b: 11.344 ± 0.002 Å
• c: 18.554 ± 0.004 Å
• α: 90°
• β: 97.53 ± 0.03°
• γ: 90°
• Cell volume: 1877.5 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0587
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No