Information card for entry 7158982

Structure parameters

• Chemical name: rac-1-((1S,2R,3S)-1-(4-(trifluoromethyl)benzyl)-2-(4-(trifluoromethyl)phenyl)-2,3-dihydro-1H-benzo[f]chromen-3-yl)naphthalen-2-ol
• Formula: C38 H26 F6 O2
• Calculated formula: C38 H26 F6 O2
• Title of publication: Stereoselective (1+1+4+4) and (4+2) cyclodimerizations of styrylnaphthols under aerobic visible-light irradiation and Brønsted acid catalysis
• Authors of publication: Lyu, Jiyuan; Claraz, Aurelie; Retailleau, Pascal; Masson, Geraldine
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 10.5131 ± 0.0006 Å
• b: 11.3065 ± 0.0007 Å
• c: 25.1627 ± 0.0017 Å
• α: 90°
• β: 96.162 ± 0.006°
• γ: 90°
• Cell volume: 2973.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No