Information card for entry 2233872

Structure parameters

• Chemical name: <i>N</i>-(9,9-Dipropyl-9<i>H</i>-fluoren-2-yl)-7-(piperidin-1-yl)- 2,1,3-benzothiadiazol-4-amine
• Formula: C30 H34 N4 S
• Calculated formula: C30 H34 N4 S
• SMILES: s1nc2c(N3CCCCC3)ccc(Nc3ccc4c5ccccc5C(c4c3)(CCC)CCC)c2n1
• Title of publication: <i>N</i>-(9,9-Dipropyl-9<i>H</i>-fluoren-2-yl)-7-(piperidin-1-yl)-2,1,3-benzothiadiazol-4-amine
• Authors of publication: Bolisetty, M. N. K. Prasad; Thomas, K. R. Justin; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o911 - o912
• a: 9.6111 ± 0.0001 Å
• b: 21.9632 ± 0.0002 Å
• c: 12.6954 ± 0.0001 Å
• α: 90°
• β: 103.936 ± 0.001°
• γ: 90°
• Cell volume: 2601 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes