Information card for entry 4033444

Structure parameters

• Formula: C30 H20 O2
• Calculated formula: C30 H20 O2
• SMILES: C1(=O)[C@H]2[C@@](c3ccccc13)([C@@]1([C@H]2C(=O)c2ccccc12)c1ccccc1)c1ccccc1
• 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: 9.9961 ± 0.0009 Å
• b: 10.5492 ± 0.0009 Å
• c: 10.7931 ± 0.0009 Å
• α: 89.069 ± 0.001°
• β: 65.605 ± 0.001°
• γ: 88.511 ± 0.001°
• Cell volume: 1036.16 ± 0.16 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0545
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No