Information card for entry 4125732

Structure parameters

• Formula: C28 H20
• Calculated formula: C28 H20
• SMILES: c12c(ccc(c1c1ccccc1)C#CC)ccc(c2c1ccccc1)C#CC
• Title of publication: Enantioselective Synthesis of [6]Carbohelicenes.
• Authors of publication: González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 4
• Pages of publication: 1428 - 1431
• a: 18.4625 ± 0.0009 Å
• b: 14.204 ± 0.0007 Å
• c: 7.6031 ± 0.0004 Å
• α: 90°
• β: 108.652 ± 0.0018°
• γ: 90°
• Cell volume: 1889.13 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No