Information card for entry 2209342

Structure parameters

• Chemical name: Ethyl 2-amino-3-ethoxycarbonyl-7,8-dimethyl-4-[4-(methylsulfanyl)phenyl]- 5-oxo-4H-pyrano[3,2-c]chromene-3-carboxylate
• Formula: C24 H23 N O5 S
• Calculated formula: C24 H23 N O5 S
• SMILES: o1c(=O)c2C(C(=C(Oc2c2ccc(c(c12)C)C)N)C(=O)OCC)c1ccc(cc1)SC
• Title of publication: Ethyl 2-amino-3-ethoxycarbonyl-7,8-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-4<i>H</i>-pyrano[3,2-<i>c</i>]chromene-3-carboxylate
• Authors of publication: Lakshmi, S.; Dinesh Manvar; Alpesh Parecha; Anamik Shah; Sridhar, M. A.; Shashidhara Prasad, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2163 - o2165
• a: 17.295 ± 0.005 Å
• b: 7.494 ± 0.004 Å
• c: 17.127 ± 0.009 Å
• α: 90°
• β: 100.22 ± 0.003°
• γ: 90°
• Cell volume: 2184.6 ± 1.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No