Information card for entry 2207960

Structure parameters

• Chemical name: tert-Butyl N-(2-bromocyclohex-2-enyl)-N-(2-furylmethyl)carbamate
• Formula: C16 H22 Br N O3
• Calculated formula: C16 H22 Br N O3
• SMILES: [C@@H]1(C(=CCCC1)Br)N(Cc1ccco1)C(=O)OC(C)(C)C
• Title of publication: <i>tert</i>-Butyl <i>N</i>-(2-bromocyclohex-2-enyl)-<i>N</i>-(2-furylmethyl)carbamate
• Authors of publication: Koşar, Başak; Demircan, Aydın; Karaarslan, Muhsin; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o765 - o767
• a: 6.2089 ± 0.0004 Å
• b: 14.6385 ± 0.0013 Å
• c: 18.5957 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1690.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0836
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes