Information card for entry 2235420

Structure parameters

• Chemical name: <i>rac</i>-Dimethyl 5-oxo-2-[(2,4,4-trimethylpentan-2-yl)amino]-4,5- dihydropyrano[3,2-<i>c</i>]chromene-3,4-dicarboxylate
• Formula: C24 H29 N O7
• Calculated formula: C24 H29 N O7
• SMILES: c12ccccc1c1c(c(=O)o2)C(C(=C(NC(C)(C)CC(C)(C)C)O1)C(=O)OC)C(=O)OC
• Title of publication: <i>rac</i>-Dimethyl 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; Arun, Yuvaraj; Sethusankar, K.; Perumal, Paramasivam T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2177
• a: 22.0329 ± 0.0017 Å
• b: 11.8675 ± 0.0008 Å
• c: 18.4861 ± 0.0014 Å
• α: 90°
• β: 107.946 ± 0.004°
• γ: 90°
• Cell volume: 4598.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes