Information card for entry 2211504

Structure parameters

• Chemical name: 14-(4-Fluorophenyl)-9H-dibenzo[a,j]xanthene
• Formula: C27 H17 F O
• Calculated formula: C27 H17 F O
• SMILES: Fc1ccc(C2c3c4c(ccc3Oc3ccc5c(c23)cccc5)cccc4)cc1
• Title of publication: 14-(4-Fluorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene
• Authors of publication: Seethalakshmi, T.; Linden, Anthony; Sunil Kumar, B.; Hunnur, R. K.; Kaliannan, P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5417 - o5418
• a: 13.7042 ± 0.0004 Å
• b: 17.165 ± 0.0005 Å
• c: 7.7369 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1819.97 ± 0.09 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes