Information card for entry 2007729

Structure parameters

• Chemical name: Di-t-butyl cis-transoid-cis-perhydro-3,3,6,6-tetramethyl-1,4- dioxocyclobuta[1,2-c:3,4-c']-dipyrrole-2,5-dicarboxylate
• Formula: C22 H34 N2 O6
• Calculated formula: C22 H34 N2 O6
• SMILES: O=C(N1C(=O)[C@@H]2[C@H](C1(C)C)[C@@H]1[C@H]2C(C)(C)N(C1=O)C(=O)OC(C)(C)C)OC(C)(C)C
• Title of publication: The 3,3,6,6-Tetramethyl <i>cis</i>-<i>transoid</i>-<i>cis</i>-Photocyclodimer of <i>tert</i>-Butyl 2,5-Dihydro-5,5-dimethyl-2-oxo-1<i>H</i>-pyrrole-1-carboxylate
• Authors of publication: Kopf, Jürgen; Wrobel, Matthias Nils; Margaretha, Paul
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1499 - 1501
• a: 17.298 ± 0.001 Å
• b: 10.738 ± 0.001 Å
• c: 12.453 ± 0.001 Å
• α: 90°
• β: 95.43 ± 0.01°
• γ: 90°
• Cell volume: 2302.7 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No