Information card for entry 4132348

Structure parameters

• Formula: C19 H16 Br2 N2 O3
• Calculated formula: C19 H16 Br2 N2 O3
• 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: 9.3937 ± 0.0003 Å
• b: 33.5488 ± 0.0013 Å
• c: 11.4358 ± 0.0004 Å
• α: 90°
• β: 92.795 ± 0.001°
• γ: 90°
• Cell volume: 3599.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0681
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.329
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No