Information card for entry 7105876

Structure parameters

• Formula: C32 H38 Br2 O2
• Calculated formula: C32 H38 Br2 O2
• SMILES: c1(cc(c(c2c1c(cc(c2OC)Br)C12CC3CC(C1)CC(C2)C3)OC)Br)C12CC3CC(C2)CC(C1)C3
• Title of publication: Synthesis of Chiral 1,8-di(1-adamantyl)naphthalenes Stable at Ambient Temperatures
• Authors of publication: Haruo Aikawa; Yusuke Takahira; Masahiko Yamaguchi
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1479
• a: 12.8196 ± 0.0004 Å
• b: 12.8196 ± 0.0004 Å
• c: 16.7042 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2745.2 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 95
• Hermann-Mauguin space group symbol: P 43 2 2
• Hall space group symbol: P 4cw 2c
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No