Information card for entry 2237655

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-2-oxoethyl naphthalene-1-carboxylate
• Formula: C19 H13 Cl O3
• Calculated formula: C19 H13 Cl O3
• SMILES: Clc1ccc(C(=O)COC(=O)c2cccc3ccccc23)cc1
• Title of publication: 2-(4-Chlorophenyl)-2-oxoethyl naphthalene-1-carboxylate
• Authors of publication: Garudachari, B.; Isloor, Arun M.; Gerber, Thomas; Hosten, Eric; Betz, Richard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o551
• a: 5.2708 ± 0.0001 Å
• b: 14.8465 ± 0.0004 Å
• c: 19.8427 ± 0.0005 Å
• α: 90°
• β: 100.383 ± 0.001°
• γ: 90°
• Cell volume: 1527.32 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0471
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes