Information card for entry 1501947

Structure parameters

• Formula: C32 H32 N O4 P
• Calculated formula: C32 H32 N O4 P
• SMILES: P(=O)(OCC)(OCC)Nc1ccc(C(=C=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1OC
• 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: 9.8093 ± 0.0008 Å
• b: 12.2537 ± 0.0007 Å
• c: 12.4626 ± 0.0009 Å
• α: 88.876 ± 0.005°
• β: 76.621 ± 0.006°
• γ: 82.373 ± 0.006°
• Cell volume: 1444.36 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No