Information card for entry 2202119

Structure parameters

• Formula: C30 H28 N2 O6
• Calculated formula: C30 H28 N2 O6
• SMILES: O=C1c2cc3c(cc2N(c2c1cccc2)C(=O)OC(C)(C)C)C(=O)c1c(N3C(=O)OC(C)(C)C)cccc1
• Title of publication: Di-<i>tert</i>-butyl 7,14-dihydro-7,14-dioxoquino[2,3-<i>b</i>]acridine-5,12-dicarboxylate
• Authors of publication: Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o474 - o475
• a: 14.02 ± 0.002 Å
• b: 6.5225 ± 0.0008 Å
• c: 14.153 ± 0.002 Å
• α: 90°
• β: 106.704 ± 0.009°
• γ: 90°
• Cell volume: 1239.6 ± 0.3 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes