Information card for entry 7123295

Structure parameters

• Formula: C15 H26 Br2 N2 O4
• Calculated formula: C15 H26 Br2 N2 O4
• Title of publication: Optimizing Electron Transfer from CdSe QDs to Hydrogenase for Photocatalytic H2 Production
• Authors of publication: Sanchez, Monica Kiewit; Wu, Chang-hao; Adams, Michael W.; Dyer, Richard Brian
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 21.061 ± 0.002 Å
• b: 6.7995 ± 0.0007 Å
• c: 26.557 ± 0.003 Å
• α: 90°
• β: 94.682 ± 0.012°
• γ: 90°
• Cell volume: 3790.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No