Information card for entry 2238475

Structure parameters

• Chemical name: Ethyl 2-amino-4-(4-methyl-1,3-thiazol-5-yl)-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromene-3-carboxylate
• Formula: C19 H16 N2 O5 S
• Calculated formula: C19 H16 N2 O5 S
• SMILES: CCOC(=O)C1=C(N)Oc2c(C1c1scnc1C)c(=O)oc1c2cccc1
• Title of publication: Ethyl 2-amino-4-(4-methyl-1,3-thiazol-5-yl)-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromene-3-carboxylate
• Authors of publication: Karthikeyan, V.; Ramkumar, V.; Karunakaran, R. Joel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1411 - o1412
• a: 15.6232 ± 0.001 Å
• b: 15.0696 ± 0.0009 Å
• c: 15.9063 ± 0.0011 Å
• α: 90°
• β: 98.873 ± 0.002°
• γ: 90°
• Cell volume: 3700.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes