Information card for entry 7157506

Structure parameters

• Formula: C19 H23 Br N2
• Calculated formula: C19 H23 Br N2
• Title of publication: Calcium mediated efficient synthesis of N-arylamidines from organic nitriles and amines.
• Authors of publication: Banerjee, Indrani; Sagar, Shweta; Panda, Tarun K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 22
• Pages of publication: 4231 - 4237
• a: 19.7432 ± 0.0016 Å
• b: 18.485 ± 0.002 Å
• c: 10.3179 ± 0.001 Å
• α: 90°
• β: 99.181 ± 0.008°
• γ: 90°
• Cell volume: 3717.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1642
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No