Information card for entry 4033443

Structure parameters

• Formula: C30 H18 Cl2 O2
• Calculated formula: C30 H18 Cl2 O2
• SMILES: C1(=O)[C@H]2[C@](c3ccccc13)(c1ccc(cc1)Cl)[C@@]1([C@H]2C(=O)c2c1cccc2)c1ccc(cc1)Cl
• 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: 10.6655 ± 0.0018 Å
• b: 15.265 ± 0.003 Å
• c: 15.421 ± 0.003 Å
• α: 71.401 ± 0.002°
• β: 76.345 ± 0.002°
• γ: 82.394 ± 0.002°
• Cell volume: 2307.9 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No