Information card for entry 7240668

Structure parameters

• Formula: C18 H31 N5 O
• Calculated formula: C18 H31 N5 O
• SMILES: n1c(nc(nc1N(C)C1CCCCC1)OC)N(C)C1CCCCC1
• 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: 14.7113 ± 0.0003 Å
• b: 10.5414 ± 0.0002 Å
• c: 24.3585 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3777.46 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No