Information card for entry 7150578

Structure parameters

• Formula: C9 H14 O2
• Calculated formula: C9 H14 O2
• 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: 7.3608 ± 0.0007 Å
• b: 12.176 ± 0.0011 Å
• c: 15.1409 ± 0.0014 Å
• α: 103.092 ± 0.002°
• β: 93.82 ± 0.002°
• γ: 100.303 ± 0.002°
• Cell volume: 1292.3 ± 0.2 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: 0.0431
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No