Information card for entry 7054586

Structure parameters

• Formula: C26 H25 N3 O2 S
• Calculated formula: C26 H25 N3 O2 S
• SMILES: S(=O)(=O)(c1c2c(ccc1)c(N(C)C)ccc2)Nc1cc2c3ccccc3n(c2cc1)CC
• Title of publication: Dansyl-carbazole AIEE material for selective recognition of thiourea derivatives
• Authors of publication: Sharma, Shilpa; Pradeep, Chullikkattill. P.; Dhir, Abhimanew
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 1822
• a: 15.6352 ± 0.0002 Å
• b: 16.2677 ± 0.0002 Å
• c: 8.8947 ± 0.00012 Å
• α: 90°
• β: 103.891 ± 0.0014°
• γ: 90°
• Cell volume: 2196.2 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No