Information card for entry 2238164

Structure parameters

• Chemical name: Methyl 3-(10-bromoanthracen-9-yl)prop-2-enoate
• Formula: C18 H13 Br O2
• Calculated formula: C18 H13 Br O2
• SMILES: COC(=O)/C=C/c1c2ccccc2c(c2c1cccc2)Br
• Title of publication: (<i>E</i>)-Methyl 3-(10-bromoanthracen-9-yl)acrylate
• Authors of publication: Bugenhagen, Bernhard; Al Jasem, Yosef; al Hindawi, Bassam; Al Rawashdeh, Nathir; Thiemann, Thies
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1138 - o1139
• a: 40.5848 ± 0.0004 Å
• b: 5.32093 ± 0.00005 Å
• c: 13.071 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2822.67 ± 0.04 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes