Information card for entry 2223683

Structure parameters

• Chemical name: Bis{[1-(<i>tert</i>-butoxycarbonyl)pyrrolidin-2-yl]methyl} carbonate
• Formula: C21 H36 N2 O7
• Calculated formula: C21 H36 N2 O7
• SMILES: O=C(OC[C@@H]1CCCN1C(=O)OC(C)(C)C)OC[C@@H]1CCCN1C(=O)OC(C)(C)C
• Title of publication: Bis{[1-(<i>tert</i>-butoxycarbonyl)pyrrolidin-2-yl]methyl} carbonate
• Authors of publication: Jing, Lin-Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2610
• a: 21.995 ± 0.005 Å
• b: 9.9534 ± 0.0018 Å
• c: 10.531 ± 0.002 Å
• α: 90°
• β: 100.631 ± 0.003°
• γ: 90°
• Cell volume: 2265.9 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes