Information card for entry 2233758

Structure parameters

• Chemical name: <i>N</i>^2^-(7-Bromo-9-butyl-9<i>H</i>-carbazol-2-yl)-9,9-diethyl- <i>N</i>^2^,<i>N</i>^7^,<i>N</i>^7^-triphenyl-9<i>H</i>-fluorene-2,7-diamine
• Formula: C51 H46 Br N3
• Calculated formula: C51 H46 Br N3
• SMILES: CCCCn1c2cc(ccc2c2c1cc(Br)cc2)N(c1ccc2c(c1)C(CC)(CC)c1c2ccc(c1)N(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>^2^-(7-Bromo-9-butyl-9<i>H</i>-carbazol-2-yl)-9,9-diethyl-<i>N</i>^2^,<i>N</i>^7^,<i>N</i>^7^-triphenyl-9<i>H</i>-fluorene-2,7-diamine
• Authors of publication: Baheti, Abhishek; 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: o860 - o861
• a: 8.6585 ± 0.0002 Å
• b: 10.6744 ± 0.0002 Å
• c: 43.6607 ± 0.0006 Å
• α: 90°
• β: 92.114 ± 0.002°
• γ: 90°
• Cell volume: 4032.56 ± 0.13 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: 0.0509
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes