Information card for entry 4126742

Structure parameters

• Formula: C65.69 H32.07 B F36 Ir N5 O0.84
• Calculated formula: C65.69 H32.07 B F36 Ir N5 O0.845
• Title of publication: Enantioselective Excited-State Photoreactions Controlled by a Chiral Hydrogen-Bonding Iridium Sensitizer.
• Authors of publication: Skubi, Kazimer L.; Kidd, Jesse B.; Jung, Hoimin; Guzei, Ilia A.; Baik, Mu-Hyun; Yoon, Tehshik P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 18.606 ± 0.007 Å
• b: 18.804 ± 0.008 Å
• c: 19.121 ± 0.007 Å
• α: 90°
• β: 90.89 ± 0.03°
• γ: 90°
• Cell volume: 6689 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No