Information card for entry 2225459

Structure parameters

• Chemical name: 1-(Phenylsulfonyl)benzo[1,2:2',3']thieno[5',4'-<i>b</i>]carbazole
• Formula: C24 H15 N O2 S2
• Calculated formula: C24 H15 N O2 S2
• SMILES: c1cccc2c1c1c(cc3c(c1)c1ccccc1s3)n2S(=O)(=O)c1ccccc1
• Title of publication: 1-(Phenylsulfonyl)benzo[1,2:2',3']thieno[5',4'-<i>b</i>]carbazole
• Authors of publication: Thenmozhi, S.; SubbiahPandi, A.; Dhayalan, V.; MohanaKrishnan, A. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o954
• a: 7.463 ± 0.005 Å
• b: 10.462 ± 0.005 Å
• c: 12.335 ± 0.005 Å
• α: 80.438 ± 0.005°
• β: 89.433 ± 0.005°
• γ: 81.876 ± 0.005°
• Cell volume: 940.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes