Information card for entry 3500076

Structure parameters

• Chemical name: trans-2,5,7,10-Tetra-azabicyclo(4.4.0)decane
• Formula: C6 H14 N4
• Calculated formula: C6 H14 N4
• Title of publication: ?
• Authors of publication: Maldonado, Ana L.; Flores-Alamo, Marcos
• Journal of publication: Personal communication to COD
• Year of publication: 2018
• a: 5.2771 ± 0.0014 Å
• b: 15.911 ± 0.003 Å
• c: 4.6211 ± 0.0012 Å
• α: 90°
• β: 108.58 ± 0.03°
• γ: 90°
• Cell volume: 367.78 ± 0.17 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No