Information card for entry 1507634

Structure parameters

• Formula: C29 H27 O3 P
• Calculated formula: C29 H27 O3 P
• SMILES: P(c1c2c3c(O[C@H]([C@@H](Oc2ccc1)C)C)cccc3OC)(c1ccccc1)c1ccccc1
• Title of publication: Highly Efficient Synthesis of a Class of Novel Chiral-Bridged Atropisomeric Monophosphine Ligands via Simple Desymmetrization and Their Applications in Asymmetric Suzuki-Miyaura Coupling Reaction.
• Authors of publication: Wang, Shouliang; Li, Jinjin; Miao, Tingting; Wu, Wenhao; Li, Qing; Zhuang, Yue; Zhou, Zhongyuan; Qiu, Liqin
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 1966 - 1969
• a: 8.0559 ± 0.0003 Å
• b: 14.2981 ± 0.0005 Å
• c: 21.0979 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2430.14 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0859
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No