Information card for entry 8105191

Structure parameters

• Formula: C46 H60 N6 O2 Se2
• Calculated formula: C46 H60 N6 O2 Se2
• Title of publication: The crystal structure of 4,4′-diselanediylbis(8-(hexyloxy)-3,6-dimethyl-1-(piperidin-1-yl)isoquinoline-7-carbonitrile), C46H60N6O2Se2
• Authors of publication: Xu, Xin-Yue; Huang, Xiao-Bo; Wu, Deng-Ze
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 239 - 242
• a: 10.4701 ± 0.0007 Å
• b: 10.6331 ± 0.0007 Å
• c: 20.4665 ± 0.0014 Å
• α: 92.079 ± 0.002°
• β: 97.937 ± 0.002°
• γ: 95.848 ± 0.002°
• Cell volume: 2242 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No