Information card for entry 1506413

Structure parameters

• Common name: (E)-6
• Chemical name: (E)-2-tert-Butyl-9-(2,2,2-triphenylethylidene)fluorene
• Formula: C37 H32
• Calculated formula: C37 H32
• SMILES: c12cc(ccc1c1ccccc1C/2=C\C(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C
• Title of publication: Syntheses, structures, and photoisomerization of (E)- and (Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene.
• Authors of publication: Barr, James W.; Bell, Thomas W.; Catalano, Vincent J.; Cline, Joseph I.; Phillips, Daniel J.; Procupez, Rolando
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2005
• Journal volume: 109
• Journal issue: 51
• Pages of publication: 11650 - 11654
• a: 12.221 ± 0.001 Å
• b: 17.921 ± 0.002 Å
• c: 13.524 ± 0.003 Å
• α: 90°
• β: 107.82 ± 0.01°
• γ: 90°
• Cell volume: 2819.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No