Information card for entry 1544844

Structure parameters

• Chemical name: 9,9-Diethyl-7-ethynyl-<i>N</i>,<i>N</i>-diphenyl-9<i>H</i>-fluoren-2-amine
• Formula: C31 H27 N
• Calculated formula: C31 H27 N
• SMILES: c1ccccc1N(c1ccccc1)c1cc2c(cc1)c1c(C2(CC)CC)cc(cc1)C#C
• Title of publication: 9,9-Diethyl-7-ethynyl-<i>N</i>,<i>N</i>-diphenyl-9<i>H</i>-fluoren-2-amine
• Authors of publication: Novina, J. J.; Vasuki, G.; Singh, Prachi; Thomas, K. R. Justin
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 12
• Pages of publication: x162006
• a: 12.7365 ± 0.0007 Å
• b: 10.5803 ± 0.0009 Å
• c: 18.6662 ± 0.0011 Å
• α: 90°
• β: 106.531 ± 0.003°
• γ: 90°
• Cell volume: 2411.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.1211
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes