Information card for entry 7110243

Structure parameters

• Formula: C39 H35 Br O4.5 P
• Calculated formula: C39 H35 Br O4.5 P
• Title of publication: Double gamma-alkylation of allylic phosphorus ylides: a unique access to oxa-bicyclic[3.3.0] diene skeletons
• Authors of publication: Peng Wang; Saihu Liao; Jian-Bo Zhu; Yong Tang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 808
• a: 9.5869 ± 0.0005 Å
• b: 35.5331 ± 0.0019 Å
• c: 10.4715 ± 0.0006 Å
• α: 90°
• β: 104.27 ± 0.001°
• γ: 90°
• Cell volume: 3457.1 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No