Information card for entry 2003341

Structure parameters

• Chemical name: 1,4,7-triazatricyclo[5.2.1.0^4.10^]decane
• Formula: C7 H13 N3
• Calculated formula: C7 H13 N3
• SMILES: N12CCN3CCN(CC1)C23
• Title of publication: 1,4,7-Triazatricyclo[5.2.1.0^4,10^]decane at 100 K
• Authors of publication: Blake, A. J.; Fallis, I. A.; Gould, R. O.; Harris, S. G.; Parsons, S.; Ross, S. A.; Schröder, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 738 - 741
• a: 6.027 ± 0.003 Å
• b: 11.177 ± 0.003 Å
• c: 10.715 ± 0.004 Å
• α: 90°
• β: 97.03 ± 0.04°
• γ: 90°
• Cell volume: 716.4 ± 0.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections: 0.192
• Weighted residual factors for significantly intense reflections: 0.1578
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No