Information card for entry 2021785

Structure parameters

• Chemical name: 9,9-Bimethyl-2,7-bis(4-pentylphenyl)-9<i>H</i>-fluorene
• Formula: C37 H42
• Calculated formula: C37 H42
• SMILES: CCCCCc1ccc(cc1)c1cc2c(cc1)c1c(C2(C)C)cc(cc1)c1ccc(cc1)CCCCC
• Title of publication: Crystal structure and mesogenic behaviour of a new fluorene derivative: 9,9-dimethyl-2,7-bis(4-pentylphenyl)-9<i>H</i>-fluorene
• Authors of publication: Gupta, Sakuntala; Choudhury, Tanmay; Dmochowska, Ewelina; Kula, Przemyslaw; Borbone, Fabio; Centore, Roberto
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• a: 24.372 ± 0.0011 Å
• b: 31.382 ± 0.007 Å
• c: 7.543 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5769 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes