Information card for entry 4031888

Structure parameters

• Formula: C42 H30
• Calculated formula: C42 H30
• SMILES: C12(CC3(C=C(C1)c1ccccc1c1ccccc1)c1ccccc1c1c3cccc1)c1ccccc1c1c2cccc1
• Title of publication: From Wires to Cables: Attempted Synthesis of 1,3,5-Trifluorenylcyclohexane as a Platform for Molecular Cables.
• Authors of publication: Talipov, Marat R.; Abdelwahed, Sameh H.; Thakur, Khushabu; Reid, Scott A.; Rathore, Rajendra
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 4
• Pages of publication: 1627 - 1634
• a: 10.5272 ± 0.0001 Å
• b: 15.2695 ± 0.0002 Å
• c: 17.9749 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2889.38 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No