Information card for entry 4083181

Structure parameters

• Formula: C14 H15 Cl N2
• Calculated formula: C14 H15 Cl N2
• SMILES: [NH2+](N=Cc1ccccc1)Cc1ccccc1.[Cl-]
• Title of publication: Reactions of Grignard Reagents with Nitrous Oxide
• Authors of publication: Tskhovrebov, Alexander G.; Solari, Euro; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2405
• a: 7.5186 ± 0.0003 Å
• b: 13.2135 ± 0.0004 Å
• c: 27.5125 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2733.28 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0756
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No