Information card for entry 7118225

Structure parameters

• Formula: C42.17 H36 Br Cd I2 N3 O6.33
• Calculated formula: C42.1666 H35.9998 Br Cd I2 N3 O6.3333
• Title of publication: A triple-function nanotube as a reactant reservoir, reaction platform, and byproduct scavenger for photo-cyclopropanation.
• Authors of publication: Kim, Jeong Gyun; Noh, Tae Hwan; Cho, Yoonjung; Park, Jin Kyoon; Jung, Ok-Sang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 2545 - 2548
• a: 54.5811 ± 0.001 Å
• b: 54.5811 ± 0.001 Å
• c: 8.9081 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 22982.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1916
• Weighted residual factors for all reflections included in the refinement: 0.2088
• 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: No
• Has Fobs: No