Information card for entry 2227233

Structure parameters

• Chemical name: 3-(2,4,6-Trimethylbenzoyl)-2-naphthoic acid
• Formula: C21 H18 O3
• Calculated formula: C21 H18 O3
• SMILES: Cc1cc(C)c(c(c1)C)C(=O)c1cc2ccccc2cc1C(=O)O
• Title of publication: 3-(2,4,6-Trimethylbenzoyl)-2-naphthoic acid
• Authors of publication: Thenmozhi, S.; ArulClement, J.; MohanaKrishnan, A. K.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2794
• a: 10.5233 ± 0.0003 Å
• b: 12.7712 ± 0.0003 Å
• c: 13.0588 ± 0.0003 Å
• α: 93.102 ± 0.002°
• β: 101.609 ± 0.002°
• γ: 99.219 ± 0.002°
• Cell volume: 1690.15 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0794
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes