Information card for entry 7209576

Structure parameters

• Formula: C18 H18 N10 O2
• Calculated formula: C18 H18 N10 O2
• SMILES: O(c1ccc(cc1)c1nc(N)nc(N)n1)c1ccc(cc1)c1nc(N)nc(N)n1.O
• Title of publication: Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence
• Authors of publication: Anthony, Savarimuthu Philip; Varughese, Sunil
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 4117
• a: 15.882 ± 0.004 Å
• b: 7.619 ± 0.002 Å
• c: 17.176 ± 0.004 Å
• α: 90°
• β: 115.635 ± 0.005°
• γ: 90°
• Cell volume: 1873.8 ± 0.8 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 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 all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No