Information card for entry 4027774

Structure parameters

• Formula: C18 H30 Br N2 O6 P S
• Calculated formula: C18 H30 Br N2 O6 P S
• Title of publication: Stereospecific Transformation of Protected P-H Group into P-O or P-N Group in One-Pot Reaction
• Authors of publication: Qiuli Yao; Chengye Yuan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 10985 - 10990
• a: 9.901 ± 0.003 Å
• b: 13.938 ± 0.005 Å
• c: 21.18 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2922.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No