Information card for entry 2235017

Structure parameters

• Chemical name: Methyl <i>N</i>-{4-[(4-methoxyphenoxy)methyl]-2-oxo-2<i>H</i>-chromen-7-yl}carbamate
• Formula: C19 H17 N O6
• Calculated formula: C19 H17 N O6
• SMILES: o1c2c(ccc(NC(=O)OC)c2)c(cc1=O)COc1ccc(OC)cc1
• Title of publication: Methyl <i>N</i>-{4-[(4-methoxyphenoxy)methyl]-2-oxo-2<i>H</i>-chromen-7-yl}carbamate
• Authors of publication: Kumar, K. Mahesh; Mahabaleshwaraiah, N. M.; Kotresh, O.; Jeyaseelan, S.; Devarajegowda, H. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1734
• a: 8.3141 ± 0.0001 Å
• b: 17.3978 ± 0.0003 Å
• c: 11.5729 ± 0.0002 Å
• α: 90°
• β: 94.309 ± 0.001°
• γ: 90°
• Cell volume: 1669.25 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0466
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes