Information card for entry 2011384

Structure parameters

• Formula: C11 H17 N O4
• Calculated formula: C11 H17 N O4
• SMILES: C12(CC(NC(=O)OC(C)(C)C)(C1)C2)C(=O)O
• Title of publication: 3-(<i>tert</i>-Butyloxycarbonylamino)bicyclo[1.1.1]pentanecarboxylic acid at 293K
• Authors of publication: Luger, Peter; Weber, Manuela; Szeimies, Günter; Pätzel, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 1170 - 1172
• a: 6.0851 ± 0.0002 Å
• b: 18.346 ± 0.0004 Å
• c: 11.3499 ± 0.0006 Å
• α: 90°
• β: 94.02 ± 0.003°
• γ: 90°
• Cell volume: 1263.95 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71068 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes