Information card for entry 7151039

Structure parameters

• Formula: C34 H36
• Calculated formula: C34 H36
• SMILES: C1c2ccc3ccccc3c2[C@H]([C@@H]1C(C)(C)C)[C@@H]1c2c(C[C@H]1C(C)(C)C)ccc1ccccc21
• Title of publication: Synthesis, stereochemistry, and photochemical and thermal behaviour of bis-tert-butyl substituted overcrowded alkenes.
• Authors of publication: Ter Wiel, Matthijs K. J.; Kwit, Marcin G.; Meetsma, Auke; Feringa, Ben L.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 87 - 96
• a: 9.7582 ± 0.0006 Å
• b: 14.4454 ± 0.0008 Å
• c: 17.915 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2525.3 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0396
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No