Information card for entry 2202493

Structure parameters

• Chemical name: 2,2'-[1,2-bis(4-chlorophenyl)ethane-1,2-diyl]bis(1-tetralone)
• Formula: C34 H28 Cl2 O2
• Calculated formula: C34 H28 Cl2 O2
• SMILES: Clc1ccc(cc1)[C@H]([C@@H]1CCc2ccccc2C1=O)[C@H](c1ccc(Cl)cc1)[C@H]1CCc2ccccc2C1=O.Clc1ccc(cc1)[C@@H]([C@H]1CCc2ccccc2C1=O)[C@@H](c1ccc(Cl)cc1)[C@@H]1CCc2ccccc2C1=O
• Title of publication: 2,2'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(1-tetralone)
• Authors of publication: Daqing Shi; Liangce Rong; Juxian Wang; Xiangshan Wang; Hongwen Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1376 - o1378
• a: 10.411 ± 0.002 Å
• b: 10.975 ± 0.001 Å
• c: 13.296 ± 0.002 Å
• α: 103.54 ± 0.01°
• β: 112.97 ± 0.01°
• γ: 93.89 ± 0.01°
• Cell volume: 1338.2 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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 all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes