Information card for entry 7150574

Structure parameters

• Formula: C15 H19 N
• Calculated formula: C15 H19 N
• SMILES: N1(C2CCCC=C2CC1)Cc1ccccc1
• 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: 5.8108 ± 0.0008 Å
• b: 10.4031 ± 0.0015 Å
• c: 10.8646 ± 0.0015 Å
• α: 68.858 ± 0.003°
• β: 87.535 ± 0.003°
• γ: 79.418 ± 0.003°
• Cell volume: 601.95 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No