Information card for entry 2237721

Structure parameters

• Chemical name: 2,2-Dichloro-3,7,7,11-tetramethyl-10-azatetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane
• Formula: C16 H25 Cl2 N
• Calculated formula: C16 H25 Cl2 N
• SMILES: [C@@]123C([C@@]1(CCCC([C@H]2[C@H]1[C@](CC3)(C)N1)(C)C)C)(Cl)Cl
• Title of publication: 2,2-Dichloro-3,7,7,11-tetramethyl-10-azatetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane
• Authors of publication: Oukhrib, Abdelouahd; Benharref, Ahmed; Saadi, Mohamed; Berraho, Moha; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o589 - o590
• a: 8.607 ± 0.003 Å
• b: 13.222 ± 0.004 Å
• c: 13.973 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1590.2 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes