Information card for entry 2230937

Structure parameters

• Chemical name: Di-<i>tert</i>-butyl 2,6,11-trioxo-2,3-dihydro-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-1,3-diacetate
• Formula: C27 H28 N2 O7
• Calculated formula: C27 H28 N2 O7
• SMILES: O=C(OC(C)(C)C)CN1C(=O)N(c2c1c1c(cc2)C(=O)c2c(C1=O)cccc2)CC(=O)OC(C)(C)C
• Title of publication: Di-<i>tert</i>-butyl 2,6,11-trioxo-2,3-dihydro-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-1,3-diacetate
• Authors of publication: Afrakssou, Zahra; Rodi, Yousef Kandri; Saffon, Natalie; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1730
• a: 19.5785 ± 0.0004 Å
• b: 13.033 ± 0.0003 Å
• c: 9.9269 ± 0.0002 Å
• α: 90°
• β: 90.583 ± 0.001°
• γ: 90°
• Cell volume: 2532.88 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes