Information card for entry 7151363

Structure parameters

• Formula: C29 H24 N2 O2 S2
• Calculated formula: C29 H24 N2 O2 S2
• SMILES: S1c2c(C(=C\3c4cc(N(=O)=O)ccc4Sc4ccc(N(C)C)cc34)\[C@H](C1)C)c1ccccc1cc2
• Title of publication: A donor–acceptor substituted molecular motor: unidirectional rotation driven by visible light
• Authors of publication: van Delden, Richard A.; Koumura, Nagatoshi; Schoevaars, Annemarie; Meetsma, Auke; Feringa, Ben L.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 33 - 35
• a: 7.7426 ± 0.0003 Å
• b: 12.4048 ± 0.0005 Å
• c: 24.867 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2388.36 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0291
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No