Information card for entry 1501945

Structure parameters

• Formula: C32 H32 N O3 P
• Calculated formula: C32 H32 N O3 P
• SMILES: P(=O)(OCC)(OCC)N1c2ccc(C)cc2C(=CC1(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Preparation of allenephosphoramide and its utility in the preparation of 4,9-dihydro-2h-benzo[f]isoindoles.
• Authors of publication: Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 940 - 943
• a: 8.0069 ± 0.0003 Å
• b: 15.2932 ± 0.0007 Å
• c: 22.1829 ± 0.0011 Å
• α: 90°
• β: 97.728 ± 0.004°
• γ: 90°
• Cell volume: 2691.7 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.795
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No