Information card for entry 2227871

Structure parameters

• Chemical name: <i>tert</i>-Butyl <i>N</i>-[(11-<i>exo</i>-benzyloxycarbonyl-8- oxopentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-11-<i>endo</i>- yloxy)carbonylmethyl]carbamate
• Formula: C26 H29 N O7
• Calculated formula: C26 H29 N O7
• SMILES: O=C1[C@H]2[C@@H]3C[C@@H]4[C@H]2[C@](OC(=O)CNC(=O)OC(C)(C)C)([C@@H]2[C@H]1[C@H]3[C@H]42)C(=O)OCc1ccccc1.O=C1[C@@H]2[C@H]3C[C@H]4[C@@H]2[C@@](OC(=O)CNC(=O)OC(C)(C)C)([C@H]2[C@@H]1[C@@H]3[C@@H]42)C(=O)OCc1ccccc1
• Title of publication: <i>tert</i>-Butyl <i>N</i>-[(11-<i>exo</i>-benzyloxycarbonyl-8-oxopentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-11-<i>endo</i>-yloxy)carbonylmethyl]carbamate
• Authors of publication: Karpoormath, Rajshekhar; Govender, Thavendran; Govender, Patrick; Kruger, Hendrik G.; Maguire, Glenn E. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2607 - o2608
• a: 9.726 ± 0.0002 Å
• b: 27.5398 ± 0.0007 Å
• c: 9.35 ± 0.0002 Å
• α: 90°
• β: 107.679 ± 0.001°
• γ: 90°
• Cell volume: 2386.14 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0399
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes