Information card for entry 7151038

Structure parameters

• Formula: C34 H36
• Calculated formula: C34 H36
• SMILES: C1(=C2/[C@H](Cc3ccc4ccccc4c23)C(C)(C)C)/[C@H](Cc2ccc3ccccc3c12)C(C)(C)C.C1(=C2/[C@@H](Cc3ccc4ccccc4c23)C(C)(C)C)/[C@@H](Cc2ccc3ccccc3c12)C(C)(C)C
• 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: 7.2761 ± 0.0003 Å
• b: 19.4524 ± 0.0008 Å
• c: 36.24 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5129.3 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 2
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No