Information card for entry 2237988

Structure parameters

• Common name: 2-(4-Bromophenyl)-2-oxoethyl naphthalene-1-carboxylate
• Chemical name: 2-(4-Bromophenyl)-2-oxoethyl naphthalene-1-carboxylate
• Formula: C19 H13 Br O3
• Calculated formula: C19 H13 Br O3
• SMILES: Brc1ccc(cc1)C(=O)COC(=O)c1cccc2c1cccc2
• Title of publication: 2-(4-Bromophenyl)-2-oxoethyl naphthalene-1-carboxylate
• Authors of publication: Garudachari, Bhadrachari; 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: 5
• Pages of publication: o649
• a: 5.2888 ± 0.0002 Å
• b: 14.9139 ± 0.0006 Å
• c: 20.0275 ± 0.0008 Å
• α: 90°
• β: 100.867 ± 0.002°
• γ: 90°
• Cell volume: 1551.37 ± 0.11 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: 0.0621
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes