Information card for entry 2243085

Structure parameters

• Common name: 2-Hydroxy-7-methoxy-1,8-bis(2,4,6-trichlorobenzoyl)naphthalene
• Chemical name: 7-Methoxy-1,8-bis[(2,4,6-trichlorophenyl)carbonyl]naphthalen-2-ol
• Formula: C25 H12 Cl6 O4
• Calculated formula: C25 H12 Cl6 O4
• SMILES: Clc1c(C(=O)c2c(O)ccc3ccc(OC)c(c23)C(=O)c2c(Cl)cc(Cl)cc2Cl)c(Cl)cc(Cl)c1
• Title of publication: Crystal structure and Hirshfeld surface analysis of 2-hydroxy-7-methoxy-1,8-bis(2,4,6-trichlorobenzoyl)naphthalene
• Authors of publication: Muto, Toyokazu; Iida, Kikuko; Noguchi, Keiichi; Yonezawa, Noriyuki; Okamoto, Akiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 10
• Pages of publication: 1418 - 1422
• a: 17.9667 ± 0.0004 Å
• b: 7.915 ± 0.0001 Å
• c: 17.6995 ± 0.0005 Å
• α: 90°
• β: 110.673 ± 0.001°
• γ: 90°
• Cell volume: 2354.92 ± 0.09 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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 all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes