Information card for entry 4033441

Structure parameters

• Formula: C30 H20 O2
• Calculated formula: C30 H20 O2
• SMILES: C1(=O)c2ccccc2[C@@]2([C@]3(c4ccccc4C(=O)[C@H]3[C@H]12)c1ccccc1)c1ccccc1.C1(=O)c2ccccc2[C@]2([C@@]3(c4ccccc4C(=O)[C@@H]3[C@@H]12)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: 9.9579 ± 0.0011 Å
• b: 17.3275 ± 0.0019 Å
• c: 12.0829 ± 0.0013 Å
• α: 90°
• β: 96.297 ± 0.002°
• γ: 90°
• Cell volume: 2072.3 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No