Information card for entry 2206782

Structure parameters

• Chemical name: 4,5-Bis[bis(diethylamino)phosphino]-9,9-dimethylxanthene
• Formula: C31 H52 N4 O P2
• Calculated formula: C31 H52 N4 O P2
• SMILES: P(N(CC)CC)(N(CC)CC)c1cccc2C(C)(C)c3cccc(P(N(CC)CC)N(CC)CC)c3Oc12
• Title of publication: 4,5-Bis[bis(diethylamino)phosphino]-9,9-dimethylxanthene
• Authors of publication: David J Adams; John Fawcett; Eric G. Hope; Alison M. Stuart
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2831 - o2832
• a: 18.799 ± 0.001 Å
• b: 11.4968 ± 0.0006 Å
• c: 15.2179 ± 0.0008 Å
• α: 90°
• β: 100.88 ± 0.001°
• γ: 90°
• Cell volume: 3229.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes