Information card for entry 7241671

Structure parameters

• Formula: C16 H16 N5
• Calculated formula: C16 H16 N5
• SMILES: N(C(Nc1ncccc1)c1ncccc1)c1ncccc1
• Title of publication: Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals
• Authors of publication: Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 66
• Pages of publication: 40421 - 40427
• a: 16.876 ± 0.0003 Å
• b: 8.689 ± 0.0001 Å
• c: 19.621 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2877.14 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections: 0.1778
• Weighted residual factors for significantly intense reflections: 0.1471
• Goodness-of-fit parameter for all reflections: 1.112
• Goodness-of-fit parameter for significantly intense reflections: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No