Information card for entry 8102026

Structure parameters

• Chemical name: dicyclohexyl-2,2'-dipyridylamidophosphane
• Formula: C22 H30 N3 P
• Calculated formula: C22 H30 N3 P
• SMILES: C1(CCCCC1)P(C1CCCCC1)N(c1ccccn1)c1ccccn1
• Title of publication: Crystal structure of dicyclohexyl-2,2'-dipyridylamido-phosphane, C~22~H~30~N~3~P
• Authors of publication: Maisel, H.; Glatz, G.; Irrgang, T.; Kempe, R.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 411 - 412
• a: 14.018 ± 0.0008 Å
• b: 9.871 ± 0.0012 Å
• c: 14.929 ± 0.0013 Å
• α: 90°
• β: 101.528 ± 0.007°
• γ: 90°
• Cell volume: 2024.1 ± 0.3 ų
• Cell temperature: 191 ± 2 K
• Ambient diffraction temperature: 191 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No