Information card for entry 7212209

Structure parameters

• Formula: C19 H21 Cl O
• Calculated formula: C19 H21 Cl O
• SMILES: Clc1ccc(C(=O)c2c(cc(cc2CC)CC)CC)cc1
• Title of publication: Low-temperature-induced reversible single-crystal-to-single-crystal phase transition of 3,4-dichloro-2′,4′,6′-triethylbenzophenone
• Authors of publication: Takahashi, Hiroki; Ito, Yoshikatsu
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1628
• a: 10.3663 ± 0.0003 Å
• b: 15.8579 ± 0.0004 Å
• c: 10.7014 ± 0.0003 Å
• α: 90°
• β: 110.985 ± 0.0009°
• γ: 90°
• Cell volume: 1642.5 ± 0.08 ų
• Cell temperature: 133.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.2626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No