Information card for entry 4033437

Structure parameters

• Formula: C32 H18 F6 O2
• Calculated formula: C32 H18 F6 O2
• SMILES: C1(=O)[C@H]2[C@](c3ccccc13)(c1ccc(cc1)C(F)(F)F)[C@@]1([C@H]2C(=O)c2c1cccc2)c1ccc(cc1)C(F)(F)F
• 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: 9.0161 ± 0.0009 Å
• b: 9.3663 ± 0.001 Å
• c: 16.0999 ± 0.0016 Å
• α: 77.857 ± 0.001°
• β: 85.231 ± 0.001°
• γ: 69.991 ± 0.001°
• Cell volume: 1248.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0777
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No