Information card for entry 1571306

Structure parameters

• Formula: C22 H24 O2
• Calculated formula: C22 H24 O2
• SMILES: O(c1c(C)c2/C(=C3\CCc4c3c(C)c(OC)cc4)CCc2cc1)C
• Title of publication: All-visible-light-driven stiff-stilbene photoswitches.
• Authors of publication: Xu, Fan; Sheng, Jinyu; Stindt, Charlotte N.; Crespi, Stefano; Danowski, Wojciech; Hilbers, Michiel F.; Buma, Wybren Jan; Feringa, Ben L.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 6763 - 6769
• a: 13.2599 ± 0.0018 Å
• b: 8.8008 ± 0.0013 Å
• c: 15.7527 ± 0.0019 Å
• α: 90°
• β: 110.535 ± 0.005°
• γ: 90°
• Cell volume: 1721.5 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No