Information card for entry 4133531

Structure parameters

• Formula: C30 H24 O2
• Calculated formula: C30 H24 O2
• SMILES: Oc1ccc2c([C@@H](C3=c4ccccc4=C4C=CCC=C34)[C@@H](CC2)C)c1[C@@H]1C=CCC=C1O
• Title of publication: Central-to-Helical-to-Axial-to-Central Transfer of Chirality with a Photoresponsive Catalyst.
• Authors of publication: Pizzolato, Stefano F.; Štacko, Peter; Kistemaker, Jos C. M.; van Leeuwen, Thomas; Otten, Edwin; Feringa, Ben L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 49
• Pages of publication: 17278 - 17289
• a: 9.323 ± 0.0004 Å
• b: 15.2792 ± 0.0006 Å
• c: 15.3454 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2185.92 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0319
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No