Information card for entry 7111182

Structure parameters

• Formula: C10 H20 N4
• Calculated formula: C10 H20 N4
• SMILES: N1CCN2CCCN3CCNC1(C23)C
• Title of publication: An organic template approach for the synthesis of selectively functionalised tetraazacycloalkanes
• Authors of publication: Boschetti, Frédéric; Denat, Franck; Espinosa, Enrique; Guilard, Roger
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 4
• Pages of publication: 312
• a: 9.3721 ± 0.0004 Å
• b: 7.8942 ± 0.0004 Å
• c: 14.4579 ± 0.0007 Å
• α: 90°
• β: 91.64 ± 0.002°
• γ: 90°
• Cell volume: 1069.23 ± 0.09 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0782
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No