Information card for entry 8107329

Structure parameters

• Chemical name: tert-butyl 2-(4-(12-bromo [2.2] Paracyclophanyl) carbamoyl) pyrrolidine-1-carboxylate
• Formula: C26 H31 Br N2 O3
• Calculated formula: C26 H31 Br N2 O3
• Title of publication: The crystal structure of tert-butyl 2-(4-(12-bromo [2.2]paracyclophanyl)carbamoyl)pyrrolidine-1-carboxylate, C26H31BrN2O3
• Authors of publication: Zhen, Chen; Yanwen, Sun; Yingying, Meng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1185 - 1187
• a: 11.01 ± 0.01 Å
• b: 13.227 ± 0.012 Å
• c: 16.458 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2397 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0713
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No