Information card for entry 2013546

Structure parameters

• Chemical name: 4-(4,6-Dimethoxy-1,3,5-triazin-2-yloxy)phenyl phenyl ketone
• Formula: C18 H15 N3 O4
• Calculated formula: C18 H15 N3 O4
• SMILES: O(c1nc(Oc2ccc(cc2)C(=O)c2ccccc2)nc(OC)n1)C
• Title of publication: Derivatives of 2,4-dimethoxy-1,3,5-triazine
• Authors of publication: Natalya Fridman; Moshe Kapon; Menahem Kaftory
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o687 - o689
• a: 32.61 ± 0.006 Å
• b: 13.757 ± 0.003 Å
• c: 15.904 ± 0.003 Å
• α: 90°
• β: 111.56 ± 0.02°
• γ: 90°
• Cell volume: 6636 ± 2 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: 0.081
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes