Information card for entry 7157507

Structure parameters

• Formula: C26 H28 Cl N3 O
• Calculated formula: C21.6 Cl3.2 N2.4 O0.8
• 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: 12.988 ± 0.002 Å
• b: 15.255 ± 0.002 Å
• c: 14.374 ± 0.002 Å
• α: 90°
• β: 104.275 ± 0.004°
• γ: 90°
• Cell volume: 2760 ± 0.7 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• 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: 0.1398
• Residual factor for significantly intense reflections: 0.1178
• Weighted residual factors for significantly intense reflections: 0.3791
• Weighted residual factors for all reflections included in the refinement: 0.4069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.717
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No