Information card for entry 4112527

Structure parameters

• Formula: C18 H13 Br2 Cl
• Calculated formula: C18 H13 Br2 Cl
• SMILES: BrCc1c(c2ccccc2c(Cl)c1)c1ccccc1CBr
• Title of publication: Chirality Exchange from sp3 Central Chirality to Axial Chirality: Benzannulation of Optically Active Diaryl-2,2-dichlorocyclopropylmethanols to Axially Chiral α-Arylnaphthalenes
• Authors of publication: Yoshinori Nishii; Kazunori Wakasugi; Keisuke Koga; Yoo Tanabe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 5358 - 5359
• a: 25.251 ± 0.003 Å
• b: 6.856 ± 0.001 Å
• c: 10.484 ± 0.001 Å
• α: 90°
• β: 112.78 ± 0.01°
• γ: 90°
• Cell volume: 1673.4 ± 0.4 ų
• Cell temperature: 298.2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.997
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No