Information card for entry 8102493

Structure parameters

• Chemical name: 1,8-bis[4-(4-pentyl-cyclohexyl)-phenyl]-10-methoxyanthracene
• Formula: C49 H60 O
• Calculated formula: C49 H60 O
• SMILES: O(c1c2cccc(c2cc2c1cccc2c1ccc(cc1)C1CCC(CC1)CCCCC)c1ccc(cc1)C1CCC(CC1)CCCCC)C
• Title of publication: Crystal structure of 1,8-bis[4-(4-pentylcyclohexyl)phenyl]-10-methoxyanthracene, C49H60O
• Authors of publication: Yun-Long Zhao; Juan Qiao; Yong Qiu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 512
• a: 9.1104 ± 0.0018 Å
• b: 10.615 ± 0.002 Å
• c: 20.583 ± 0.004 Å
• α: 100.94 ± 0.03°
• β: 90.97 ± 0.03°
• γ: 93.65 ± 0.03°
• Cell volume: 1949.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1315
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No