Information card for entry 1506412

Structure parameters

• Common name: (Z)-6
• Chemical name: (Z)-2-tert-Butyl-9-(2,2,2-triphenylethylidene)fluorene
• Formula: C37 H32
• Calculated formula: C37 H32
• SMILES: c12cc(C(C)(C)C)ccc1c1ccccc1C\2=C\C(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.272 ± 0.003 Å
• b: 14.504 ± 0.003 Å
• c: 17.102 ± 0.003 Å
• α: 84.537 ± 0.015°
• β: 86.253 ± 0.018°
• γ: 81.33 ± 0.02°
• Cell volume: 2747.8 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.146
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1351
• 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