Information card for entry 4118391

Structure parameters

• Formula: C21 H26
• Calculated formula: C21 H26
• SMILES: C1(CCC[C@@]2(c3ccc4ccccc4c3CC[C@@H]12)C)(C)C
• Title of publication: Highly Enantioselective Proton-Initiated Polycyclization of Polyenes
• Authors of publication: Karavadhi Surendra; E. J. Corey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 11992 - 11994
• a: 18.3125 ± 0.0017 Å
• b: 7.4191 ± 0.0006 Å
• c: 24.023 ± 0.002 Å
• α: 90°
• β: 103.336 ± 0.002°
• γ: 90°
• Cell volume: 3175.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No