Information card for entry 2221430

Structure parameters

• Chemical name: Diethyl 3<i>H</i>-naphtho[2,1-<i>b</i>]pyran-2,3-dicarboxylate
• Formula: C19 H18 O5
• Calculated formula: C19 H18 O5
• SMILES: O1c2ccc3ccccc3c2C=C(C1C(=O)OCC)C(=O)OCC
• Title of publication: Diethyl 3<i>H</i>-naphtho[2,1-<i>b</i>]pyran-2,3-dicarboxylate
• Authors of publication: Asiri, Abdullah Mohamed; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o760
• a: 28.5156 ± 0.0003 Å
• b: 7.5804 ± 0.0001 Å
• c: 18.5365 ± 0.0002 Å
• α: 90°
• β: 126.413 ± 0.001°
• γ: 90°
• Cell volume: 3224.54 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes