Information card for entry 7157508

Structure parameters

• Formula: C21 H29 N3
• Calculated formula: C21 H29 N3
• SMILES: N(=C(N)\c1ccc(N(C)C)cc1)/c1c(cccc1C(C)C)C(C)C
• 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: 8.5523 ± 0.0011 Å
• b: 10.6764 ± 0.0014 Å
• c: 20.418 ± 0.003 Å
• α: 90°
• β: 93.693 ± 0.004°
• γ: 90°
• Cell volume: 1860.5 ± 0.4 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 3
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No