Information card for entry 7209573

Structure parameters

• Formula: C22 H16 N10 O4
• Calculated formula: C22 H16 N10 O4
• 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: 8.71 ± 0.004 Å
• b: 10.353 ± 0.005 Å
• c: 14.973 ± 0.007 Å
• α: 107.204 ± 0.01°
• β: 92.64 ± 0.011°
• γ: 94.681 ± 0.011°
• Cell volume: 1282 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No