Information card for entry 2206514

Structure parameters

• Chemical name: 2,9-Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione
• Formula: C20 H10 Cl2 N2 O2
• Calculated formula: C20 H10 Cl2 N2 O2
• SMILES: c1c(Cl)ccc2c1C(=O)c1c(N2)cc2C(=O)c3cc(ccc3Nc2c1)Cl
• Title of publication: 2,9-Dichloro-5,12-dihydroquino[2,3-<i>b</i>]acridine-7,14-dione (red phase)
• Authors of publication: Senju, Takatoshi; Nishimura, Naoko; Hoki, Tomonori; Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2596 - o2598
• a: 3.7819 ± 0.0011 Å
• b: 5.8314 ± 0.0016 Å
• c: 16.754 ± 0.004 Å
• α: 94.956 ± 0.016°
• β: 95.136 ± 0.017°
• γ: 90.66 ± 0.018°
• Cell volume: 366.56 ± 0.17 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No