Information card for entry 1512590

Structure parameters

• Formula: C21 H21 O4 P
• Calculated formula: C21 H21 O4 P
• SMILES: P(=O)(OCC)(OCC)c1c(c2ccccc2cc1)c1ccccc1C=O
• Title of publication: Enantioselective Synthesis of Axially Chiral Multifunctionalized Biaryls via Asymmetric Suzuki-Miyaura Coupling.
• Authors of publication: Zhou, Yougui; Wang, Shouliang; Wu, Wenhao; Li, Qing; He, Yuwei; Zhuang, Yue; Li, Lanning; Pang, Jiyan; Zhou, Zhongyuan; Qiu, Liqin
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 5508 - 5511
• a: 10.9251 ± 0.0003 Å
• b: 7.6043 ± 0.0002 Å
• c: 11.6088 ± 0.0003 Å
• α: 90°
• β: 93.167 ± 0.001°
• γ: 90°
• Cell volume: 962.96 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No