Information card for entry 7154991

Structure parameters

• Chemical name: (S)-1-((4-Hydroxyphenyl)(thiophen-3-yl)methyl)naphthalen-2-ol
• Formula: C21 H16 O2 S
• Calculated formula: C21 H16 O2 S
• Title of publication: Chiral phosphoric acid catalyzed asymmetric addition of naphthols to para-quinone methides.
• Authors of publication: Wong, Yuk Fai; Wang, Zhaobin; Sun, Jianwei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 5751 - 5754
• a: 10.2816 ± 0.0003 Å
• b: 10.436 ± 0.0003 Å
• c: 15.0467 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1614.49 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0585
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No