Information card for entry 2005111

Structure parameters

• Formula: C23 H20 O4
• Calculated formula: C23 H20 O4
• SMILES: [C@@H]12C(=O)C[C@@](C(=C1C(=O)c1ccccc1)C(=O)c1ccccc1)(CC2)OC.[C@H]12C(=O)C[C@](C(=C1C(=O)c1ccccc1)C(=O)c1ccccc1)(CC2)OC
• Title of publication: A Multichromophoric Bicyclo[2.2.2]octenone and a Photorearranged Ester Derivative
• Authors of publication: Mostafa, G.; Ray, S.; Singh, R.; Lahiri, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1747 - 1750
• a: 11.059 ± 0.004 Å
• b: 14.188 ± 0.005 Å
• c: 11.996 ± 0.005 Å
• α: 90°
• β: 102.39 ± 0.03°
• γ: 90°
• Cell volume: 1838.4 ± 1.2 ų
• Cell temperature: 300 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 1.169
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No