Information card for entry 7150374

Structure parameters

• Formula: C27 H20 S2
• Calculated formula: C27 H20 S2
• SMILES: S1c2ccc3ccccc3c2/C(=C2c3ccccc3Sc3ccccc/23)CC1C
• Title of publication: Exploring the boundaries of a light-driven molecular motor design: new sterically overcrowded alkenes with preferred direction of rotation.
• Authors of publication: van Delden, Richard A.; ter Wiel, Matthijs K. J.; de Jong, Harmen; Meetsma, Auke; Feringa, Ben L.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 1531 - 1541
• a: 8.827 ± 0.002 Å
• b: 21.647 ± 0.004 Å
• c: 11.075 ± 0.002 Å
• α: 90°
• β: 100.493 ± 0.003°
• γ: 90°
• Cell volume: 2080.8 ± 0.7 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No