Information card for entry 2101816

Structure parameters

• Formula: C45 H38 O3
• Calculated formula: C45 H38 O3
• Title of publication: Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylmethanol)
• Authors of publication: Fu, T. Y.; Scheffer, J. R.; Trotter, J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 300 - 305
• a: 10.21 ± 0.001 Å
• b: 21.152 ± 0.003 Å
• c: 16.462 ± 0.001 Å
• α: 90°
• β: 95.916 ± 0.007°
• γ: 90°
• Cell volume: 3536.2 ± 0.6 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 2.81
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes