Information card for entry 4132346

Structure parameters

• Formula: C82 H56 Br2 N6 O14 Zn2
• Calculated formula: C14 H6 Br0.5 N0.5 O2 Zn0.5
• Title of publication: Flipping the Switch: Fast Photoisomerization in a Confined Environment.
• Authors of publication: Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 24
• Pages of publication: 7611 - 7622
• a: 11.149 ± 0.002 Å
• b: 15.869 ± 0.003 Å
• c: 22.608 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3999.9 ± 1.4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 47
• Hermann-Mauguin space group symbol: P m m m
• Hall space group symbol: -P 2 2
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1934
• Weighted residual factors for all reflections included in the refinement: 0.2279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No