Information card for entry 1511768

Structure parameters

• Formula: C13 H13 N5 O4
• Calculated formula: C13 H13 N5 O4
• SMILES: CN1c2nc3c(cc2C(=O)N(C1=O)C)C(=O)N(C(=O)N3C)C
• Title of publication: Synthesis, Characterization, and Crystal Structure of 1,3,7,9-Tetramethylpyrido-[2,3-d:6,5-d']-dipyrimidine-2,4,6,8-tetrone
• Authors of publication: Carmen Enrique; Miguel Quirós; M. Angustias Romero; Juan M. Salas; M. Purificación Sánchez; Francisco Hueso-Ureña; Miguel N. Moreno-Carretero; J. Daniel Martín
• Journal of publication: Journal of Chemical Crystallography
• Year of publication: 1994
• Journal volume: 24
• Pages of publication: 465 - 468
• a: 12.72 ± 0.005 Å
• b: 13.688 ± 0.007 Å
• c: 8.079 ± 0.002 Å
• α: 90°
• β: 107.06 ± 0.04°
• γ: 90°
• Cell volume: 1344.8 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.084
• Goodness-of-fit parameter for significantly intense reflections: 0.45
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No