Information card for entry 8102084

Structure parameters

• Chemical name: dimethyl 7-(cyclohexylamino)2,3,4,5-tetrahydro-1,3-dimethyl-2,4-dioxo- 1H-pyrano[2,3-d]pyrimidine-5,6-dicarboxylate
• Formula: C19 H25 N3 O7
• Calculated formula: C19 H25 N3 O7
• SMILES: O1C2N(C(=O)N(C(=O)C=2C(C(=C1NC1CCCCC1)C(=O)OC)C(=O)OC)C)C
• Title of publication: Crystal structure of dimethyl 7-(cyclohexylamino)2,3,4,5-tetrahydro- 1,3-dimethyl-2,4-dioxo-1H-pyrano[2,3-d]-pyrimidine-5,6-dicarboxylate, C~19~H~25~N~3~O~7~
• Authors of publication: Zonouzi, A.; Rahmani, H.; Samareh Afsari, H.; Saranjampour, P.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 4
• Pages of publication: 559 - 560
• a: 9.304 ± 0.001 Å
• b: 10.8443 ± 0.0012 Å
• c: 11.0327 ± 0.0013 Å
• α: 109.574 ± 0.003°
• β: 102.575 ± 0.003°
• γ: 102.419 ± 0.003°
• Cell volume: 972.16 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No