Information card for entry 2237326

Structure parameters

• Chemical name: Ethyl 5-bromonaphtho[2,1-<i>b</i>]furan-2-carboxylate
• Formula: C15 H11 Br O3
• Calculated formula: C15 H11 Br O3
• SMILES: CCOC(=O)c1oc2c(c1)c1ccccc1c(c2)Br
• Title of publication: Ethyl 5-bromonaphtho[2,1-<i>b</i>]furan-2-carboxylate
• Authors of publication: Shet Prakash, M.; Suchetan, P. A.; Mahadevan, K. M.; Vaidya, V. P.; Velumurgan, D.; Palakshamurthy, B. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o198
• a: 7.3108 ± 0.0004 Å
• b: 11.1545 ± 0.0006 Å
• c: 15.9752 ± 0.001 Å
• α: 90°
• β: 100.921 ± 0.004°
• γ: 90°
• Cell volume: 1279.16 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0639
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes