Information card for entry 4020155

Structure parameters

• Formula: C21 H36 Cl N
• Calculated formula: C21 H36 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: 12.3939 ± 0.0013 Å
• b: 13.7953 ± 0.0014 Å
• c: 14.2655 ± 0.0015 Å
• α: 107.587 ± 0.002°
• β: 113.209 ± 0.003°
• γ: 90.358 ± 0.003°
• Cell volume: 2114.9 ± 0.4 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: 0.0857
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1223
• 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