Information card for entry 2010900

Structure parameters

• Common name: 1,2,7,8 dibenzofluorenone
• Chemical name: 13H-dibenzo[a,i]fluoren-13-one
• Formula: C21 H12 O
• Calculated formula: C21 H12 O
• SMILES: O=C1c2c(c3c1c1ccccc1cc3)ccc1c2cccc1
• Title of publication: 13<i>H</i>-Dibenzo[<i>a</i>,<i>i</i>]fluoren-13-one
• Authors of publication: Morris, David G.; Higgins, Sean; Ryder, Karl S.; Howie, R. Alan; Muir, Kenneth W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 570 - 571
• a: 13.2543 ± 0.0009 Å
• b: 25.7694 ± 0.0018 Å
• c: 3.8521 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1315.71 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No