Information card for entry 7131699

Structure parameters

• Formula: C38 B10 N2 Se2
• Calculated formula: C38 B10 N2 Se2
• SMILES: [Se]1c2c(N(c3c1cccc3)c1ccc(cc1)[C]1345[C]678(c9ccc(N%10c%11c([Se]c%12c%10cccc%12)cccc%11)cc9)[BH]9%10%11[BH]%12%13%14[BH]%158%10[BH]836[BH]365[BH]5%101[BH]479[BH]%11%125[BH]%146%10[BH]%13%1583)cccc2
• Title of publication: Carborane based chalcogen-fused phenazines for visible light induced ATRP.
• Authors of publication: Yang, Xiaodong; Li, Haishuang; Shao, Dong; He, Gang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 49
• Pages of publication: 7643 - 7646
• a: 14.546 ± 0.008 Å
• b: 10.201 ± 0.006 Å
• c: 24.68 ± 0.014 Å
• α: 90°
• β: 95.087 ± 0.008°
• γ: 90°
• Cell volume: 3648 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1359
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.2148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No