Information card for entry 4020028

Structure parameters

• Formula: C13 H18 Cl N O
• Calculated formula: C13 H18 Cl N O
• Authors of publication: Albert Padwa; Paitoon Rashatasakhon; Ayse Daut Ozdemir; Jerremey Willis
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 519 - 528
• a: 14.1821 ± 0.0004 Å
• b: 11.6288 ± 0.0004 Å
• c: 14.4777 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2387.67 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No