Information card for entry 4033436

Structure parameters

• Formula: C16 H12 O
• Calculated formula: C16 H12 O
• SMILES: O=C1c2c(C(=C1)c1ccc(cc1)C)cccc2
• 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: 10.4878 ± 0.0012 Å
• b: 10.7169 ± 0.0012 Å
• c: 10.7804 ± 0.0012 Å
• α: 90°
• β: 101.988 ± 0.002°
• γ: 90°
• Cell volume: 1185.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No