Information card for entry 4112526

Structure parameters

• Formula: C18 H18 Cl2 O
• Calculated formula: C18 H18 Cl2 O
• SMILES: ClC1(Cl)[C@@]([C@](O)(c2ccccc2)c2c(C)cccc2)(C)C1.ClC1(Cl)[C@]([C@@](O)(c2ccccc2)c2c(C)cccc2)(C)C1
• 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: 8.043 ± 0.0008 Å
• b: 8.818 ± 0.001 Å
• c: 12.961 ± 0.002 Å
• α: 97.664 ± 0.007°
• β: 107.021 ± 0.008°
• γ: 109.557 ± 0.003°
• Cell volume: 800.49 ± 0.18 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No