Information card for entry 7209575

Structure parameters

• Formula: C18 H16 N10 O
• Calculated formula: C18 H16 N10 O
• SMILES: O(c1ccc(cc1)c1nc(N)nc(N)n1)c1ccccc1c1nc(N)nc(N)n1
• 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: 8.9692 ± 0.0018 Å
• b: 10.621 ± 0.002 Å
• c: 14.453 ± 0.003 Å
• α: 83.86 ± 0.03°
• β: 85.29 ± 0.03°
• γ: 77.44 ± 0.03°
• Cell volume: 1333.7 ± 0.5 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: 0.0823
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No