Information card for entry 7152421

Structure parameters

• Formula: C35 H37 N O2 P2
• Calculated formula: C35 H37 N O2 P2
• SMILES: [P@]1(=O)([P@]23(=O)N([C@@H]2(c2ccccc2)[C@@]3(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)C(C)(C)C)C(C)C.[P@@]1(=O)([P@@]23(=O)N([C@H]2(c2ccccc2)[C@]3(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)C(C)(C)C)C(C)C
• Title of publication: Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.
• Authors of publication: Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 27
• Pages of publication: 5298 - 5306
• a: 10.231 ± 0.003 Å
• b: 14.736 ± 0.004 Å
• c: 20.826 ± 0.005 Å
• α: 90°
• β: 102.29 ± 0.004°
• γ: 90°
• Cell volume: 3067.9 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No