Information card for entry 1506272

Structure parameters

• Formula: C30 H37 O3 P
• Calculated formula: C30 H37 O3 P
• SMILES: P(=O)(c1ccc2ccccc2c1c1c2ccccc2ccc1O)(C(C)(C)C)C(C)(C)C.OCC
• Title of publication: Intramolecular arene epoxidation by phosphadioxiranes.
• Authors of publication: Zhang, Dong; Gao, Ruomei; Afzal, Shabana; Vargas, Mario; Sharma, Shantanu; McCurdy, Alison; Yousufuddin, Muhammed; Stewart, Timothy; Bau, Robert; Selke, Matthias
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 22
• Pages of publication: 5125 - 5128
• a: 10.675 ± 0.002 Å
• b: 11.455 ± 0.003 Å
• c: 12.152 ± 0.003 Å
• α: 94.968 ± 0.004°
• β: 95.671 ± 0.004°
• γ: 117.303 ± 0.004°
• Cell volume: 1299.3 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No