Information card for entry 4036120

Structure parameters

• Formula: C17 H16 O2
• Calculated formula: C17 H16 O2
• SMILES: c12c(C=C[C@H]([C@H]1O)Oc1ccc(cc1)C)cccc2
• Title of publication: Platinum-catalyzed asymmetric ring-opening reactions of oxabenzonorbornadienes with phenols.
• Authors of publication: Meng, Ling; Yang, Wen; Pan, Xuejing; Tao, Meng; Cheng, Guo; Wang, Sanyong; Zeng, Heping; Long, Yuhua; Yang, Dingqiao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 5
• Pages of publication: 2503 - 2512
• a: 11.449 ± 0.005 Å
• b: 4.911 ± 0.002 Å
• c: 12.034 ± 0.005 Å
• α: 90°
• β: 95.046 ± 0.008°
• γ: 90°
• Cell volume: 674 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1076
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.735
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No