Information card for entry 2005752

Structure parameters

• Formula: C27 H28 Cl2 N6 O4
• Calculated formula: C28 H23 Cl2 N6 O4
• Title of publication: A Strained Tricyclic Product of a Dipolar 1,3-Cycloaddition Reaction of Diazepine
• Authors of publication: Hasnaoui, A.; El Messaoudi, M.; Lavergne, J. P.; Giorgi, M.; Pierrot, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3213 - 3215
• a: 9.841 ± 0.001 Å
• b: 21.845 ± 0.002 Å
• c: 13.015 ± 0.003 Å
• α: 90 ± 0.2°
• β: 94.43 ± 0.05°
• γ: 90 ± 0.3°
• Cell volume: 2789.6 ± 0.8 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• 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: 0.144
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.082
• Goodness-of-fit parameter for significantly intense reflections: 2.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No