Information card for entry 7150580

Structure parameters

• Formula: C17 H24 Cl N
• Calculated formula: C17 H24 Cl N
• SMILES: [NH+]1([C@H]2CCCC=C2CCC1)[C@H](C)c1ccccc1.[Cl-]
• Title of publication: Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines
• Authors of publication: Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 986 - 995
• a: 16.115 ± 0.002 Å
• b: 10.4898 ± 0.0013 Å
• c: 10.9685 ± 0.0014 Å
• α: 90°
• β: 121.095 ± 0.003°
• γ: 90°
• Cell volume: 1587.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No