Information card for entry 4033438

Structure parameters

• Formula: C32 H24 O4
• Calculated formula: C32 H24 O4
• SMILES: C1(=O)[C@H]2[C@](c3ccccc13)(c1ccc(OC)cc1)[C@]1([C@@H]2C(=O)c2c1cccc2)c1ccc(OC)cc1.C1(=O)[C@@H]2[C@@](c3ccccc13)(c1ccc(OC)cc1)[C@@]1([C@H]2C(=O)c2c1cccc2)c1ccc(OC)cc1
• Title of publication: Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.
• Authors of publication: Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 4
• Pages of publication: 2256 - 2262
• a: 9.019 ± 0.002 Å
• b: 24.9 ± 0.005 Å
• c: 10.765 ± 0.002 Å
• α: 90°
• β: 98.326 ± 0.003°
• γ: 90°
• Cell volume: 2392 ± 0.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No