Information card for entry 8100883

Structure parameters

• Formula: C7 H7 N3 O6
• Calculated formula: C7 H7 N3 O6
• SMILES: N(C(N(C=O)C=O)N(C=O)C=O)(C=O)C=O
• Title of publication: Crystal structure of tris(diformylamino)methane, C~7~H~7~N~3~O~6~
• Authors of publication: Frey, Wolfgang; Kantlehner, Willi; Ziegler, Georg; Scherr, Oliver
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 1
• Pages of publication: 97 - 98
• a: 12.159 ± 0.002 Å
• b: 10.661 ± 0.002 Å
• c: 14.813 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1920.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1068
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No