Information card for entry 2010185

Structure parameters

• Chemical name: Methyl 3-[(tert-butyloxycarbonyl)amino]-4-hydroxy-cyclohexane-1-carboxylate
• Formula: C13 H23 N O5
• Calculated formula: C13 H23 N O5
• Title of publication: Two nitrogen-containing analogues of chorismic acid
• Authors of publication: Mackay, M.F.; McLeish, M.J.; Campbell, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1734 - 1738
• a: 14.214 ± 0.001 Å
• b: 6.593 ± 0.001 Å
• c: 16.543 ± 0.001 Å
• α: 90°
• β: 99.51 ± 0.01°
• γ: 90°
• Cell volume: 1529 ± 0.3 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.075
• Goodness-of-fit parameter for significantly intense reflections: 3.79
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No