Information card for entry 1506273

Structure parameters

• Formula: C30 H24 N O2 P
• Calculated formula: C30 H24 N O2 P
• SMILES: P(=O)(c1ccc2ccccc2c1[C@]12O[C@H]1C=Cc1ccccc21)(C(C)(C)C)C(C)(C)C.P(=O)(c1ccc2ccccc2c1[C@@]12O[C@@H]1C=Cc1ccccc21)(C(C)(C)C)C(C)(C)C.N#CC.N#CC
• 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: 10.999 ± 0.006 Å
• b: 11.201 ± 0.006 Å
• c: 21.538 ± 0.012 Å
• α: 90°
• β: 100.571 ± 0.009°
• γ: 90°
• Cell volume: 2608 ± 2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0974
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No