Information card for entry 7155627

Structure parameters

• Formula: C31 H34 O2
• Calculated formula: C31 H34 O2
• SMILES: c12ccccc1ccc(c2[C@H](c1ccccc1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)O
• Title of publication: Phosphine-catalyzed Friedel–Crafts reaction of naphthols with para-quinone methides: expedient access to triarylmethanes
• Authors of publication: Zhou, Tao; Li, Shenhuan; Huang, Ben; Li, Cao; Zhao, Yang; Chen, Jieqiong; Chen, Aoling; Xiao, Yuanjin; Liu, Lu; Zhang, Junliang
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 9.6403 ± 0.0005 Å
• b: 16.1153 ± 0.0008 Å
• c: 16.1214 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2504.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0606
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No