Information card for entry 2240987

Structure parameters

• Chemical name: 2,2'-Bis[(2-chlorobenzyl)oxy]-1,1'-binaphthalene
• Formula: C34 H24 Cl2 O2
• Calculated formula: C34 H24 Cl2 O2
• SMILES: c1(ccccc1COc1ccc2ccccc2c1c1c2ccccc2ccc1OCc1ccccc1Cl)Cl
• Title of publication: Crystal structure of 2,2'-bis[(2-chlorobenzyl)oxy]-1,1'-binaphthalene
• Authors of publication: Raja, Rajamani; Jayanthi, Mani; Rajakumar, Perumal; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: o637 - o638
• a: 11.1983 ± 0.0003 Å
• b: 14.6094 ± 0.0004 Å
• c: 16.3263 ± 0.0004 Å
• α: 90°
• β: 92.622 ± 0.002°
• γ: 90°
• Cell volume: 2668.19 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes