Information card for entry 7209574

Structure parameters

• Formula: C20 H22 N10 O3 S
• Calculated formula: C20 H22 N10 O3 S
• 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: 8.366 ± 0.001 Å
• b: 9.982 ± 0.001 Å
• c: 14.679 ± 0.002 Å
• α: 91.465 ± 0.001°
• β: 97.58 ± 0.003°
• γ: 105.924 ± 0.003°
• Cell volume: 1166 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2387
• Weighted residual factors for all reflections included in the refinement: 0.2577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No