Information card for entry 4029061

Structure parameters

• Formula: C20 H22 O
• Calculated formula: C20 H22 O
• SMILES: c1(ccc(cc1)[C@@H]1[C@H](O)c2c(cccc2)C=C1)C(C)(C)C
• Title of publication: Platinum(II)-catalyzed asymmetric ring-opening addition of arylboronic acids to oxabenzonorbornadienes.
• Authors of publication: Pan, Xuejing; Huang, Guobao; Long, Yuhua; Zuo, Xiongjun; Xu, Xuan; Gu, Fenglong; Yang, Dingqiao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 1
• Pages of publication: 187 - 196
• a: 6.1138 ± 0.0014 Å
• b: 11.409 ± 0.003 Å
• c: 11.578 ± 0.003 Å
• α: 90°
• β: 95.228 ± 0.003°
• γ: 90°
• Cell volume: 804.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No