Information card for entry 2233278

Structure parameters

• Chemical name: <i>rac</i>-Diethyl 5-oxo-2-[(2,4,4-trimethylpentan-2-yl)amino]- 4,5-dihydropyrano[3,2-<i>c</i>]chromene-3,4-dicarboxylate
• Formula: C26 H33 N O7
• Calculated formula: C26 H33 N O7
• SMILES: c12ccccc1c1c(c(=O)o2)C(C(=C(O1)NC(C)(CC(C)(C)C)C)C(=O)OCC)C(=O)OCC
• Title of publication: <i>rac</i>-Diethyl 5-oxo-2-[(2,4,4-trimethylpentan-2-yl)amino]-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: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o112
• a: 11.691 ± 0.0017 Å
• b: 18.786 ± 0.003 Å
• c: 11.7305 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2576.3 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes