Information card for entry 4033434

Structure parameters

• Formula: C32 H24 O2
• Calculated formula: C32 H24 O2
• SMILES: C1(=O)c2ccccc2[C@@]2([C@@]3(c4ccccc4C(=O)[C@@H]3[C@H]12)c1ccc(cc1)C)c1ccc(cc1)C
• 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: 10.9306 ± 0.0018 Å
• b: 10.966 ± 0.0018 Å
• c: 10.9747 ± 0.0018 Å
• α: 86.834 ± 0.002°
• β: 84.597 ± 0.002°
• γ: 61.446 ± 0.002°
• Cell volume: 1150.3 ± 0.3 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: 0.0894
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No