Information card for entry 2100578

Structure parameters

• Common name: triethyl-1,3,5-triazine-2,4,6-tricarboxylate
• Chemical name: triethyl-1,3,5-triazine-2,4,6-tricarboxylate
• Formula: C12 H15 N3 O6
• Calculated formula: C12 H15 N3 O6
• SMILES: CCOC(=O)c1nc(nc(n1)C(=O)OCC)C(=O)OCC
• Title of publication: Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives
• Authors of publication: Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: 864 - 874
• a: 10.983 ± 0.0003 Å
• b: 10.983 ± 0.0005 Å
• c: 6.7555 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 705.72 ± 0.04 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Goodness-of-fit parameter for all reflections: 1.9
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No