Information card for entry 2237074

Structure parameters

• Common name: Dibenzo[<i>b</i>,<i>g</i>]indeno[1',2':3,4]fluoreno[1,2-<i>d</i>]oxonine- 5,11,16,21-tetraone
• Formula: C34 H16 O5
• Calculated formula: C34 H16 O5
• SMILES: O1c2c(cccc2)c2c(C(=O)c3c(C1=O)cccc3)c1c(c3c2C(=O)c2ccccc32)C(=O)c2c1cccc2
• Title of publication: Dibenzo[<i>b</i>,<i>g</i>]indeno[1',2':3,4]fluoreno[1,2-<i>d</i>]oxonine-5,11,16,21-tetraone
• Authors of publication: Mohamed, Shaaban Kamel; Akkurt, Mehmet; Tahir, Muhammad N.; Abdelhamid, Antar A.; Marzouk, Adel A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3363 - o3364
• a: 12.23 ± 0.004 Å
• b: 12.346 ± 0.003 Å
• c: 16.794 ± 0.005 Å
• α: 82.229 ± 0.007°
• β: 72.773 ± 0.006°
• γ: 81.181 ± 0.01°
• Cell volume: 2382.5 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1558
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes