Information card for entry 7240667

Structure parameters

• Formula: C19 H28 N6
• Calculated formula: C19 H28 N6
• SMILES: n1c(nc(nc1N(C)c1ccccc1)N(C)C1CCCCC1)N(C)C
• Title of publication: Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability
• Authors of publication: Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 14.6085 ± 0.0005 Å
• b: 12.275 ± 0.0004 Å
• c: 10.4746 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1878.3 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No