Information card for entry 2232376

Structure parameters

• Chemical name: <i>rac</i>-Dimethyl 2-(<i>tert</i>-butylamino)-5-oxo-4,5- dihydropyrano[3,2-<i>c</i>]chromene-3,4-dicarboxylate
• Formula: C20 H21 N O7
• Calculated formula: C20 H21 N O7
• SMILES: c12ccccc1c1c(c(=O)o2)C(C(=C(O1)NC(C)(C)C)C(=O)OC)C(=O)OC
• Title of publication: <i>rac</i>-Dimethyl 2-(<i>tert</i>-butylamino)-5-oxo-4,5-dihydropyrano[3,2-<i>c</i>]chromene-3,4-dicarboxylate
• Authors of publication: Inglebert, S. Antony; Sethusankar, K.; Arun, Yuvaraj; Perumal, Paramasivam T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2955
• a: 10.0907 ± 0.0002 Å
• b: 16.3943 ± 0.0004 Å
• c: 11.8266 ± 0.0002 Å
• α: 90°
• β: 107.941 ± 0.001°
• γ: 90°
• Cell volume: 1861.34 ± 0.07 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: 0.0894
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes