Information card for entry 1550518

Structure parameters

• Chemical name: 14-(4-Chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene
• Formula: C27 H17 Cl O
• Calculated formula: C27 H17 Cl O
• SMILES: Clc1ccc(C2c3c4ccccc4ccc3Oc3c2c2c(cc3)cccc2)cc1
• Title of publication: 14-(4-Chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene
• Authors of publication: Roy Choudhury, Anuradha; Paul, Satya B.; Choudhury, Sudip
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 1
• Pages of publication: x181846
• a: 14.0201 ± 0.0007 Å
• b: 17.4488 ± 0.0008 Å
• c: 7.8775 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1927.1 ± 0.15 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0589
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.6074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes