Information card for entry 4020154

Structure parameters

• Formula: C18 H28 Cl N
• Calculated formula: C18 H28 Cl N
• Authors of publication: Yun Ma; Emil Lobkovsky; David B. Collum
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 2335 - 2337
• a: 8.1041 ± 0.0007 Å
• b: 10.5248 ± 0.0008 Å
• c: 10.7006 ± 0.0009 Å
• α: 102.898 ± 0.002°
• β: 95.855 ± 0.002°
• γ: 107.391 ± 0.002°
• Cell volume: 834.92 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No