Information card for entry 7131698

Structure parameters

• Formula: C38 H34 B10 N2 S2
• Calculated formula: C38 H34 B10 N2 S2
• SMILES: S1c2c(N(c3ccc([C]4567[C]89%10(c%11ccc(N%12c%13c(Sc%14c%12cccc%14)cccc%13)cc%11)[BH]%11%124[BH]4%136[BH]6%147[BH]758[BH]589[BH]967[BH]64%14[BH]4%12%13[BH]%10%115[BH]8964)cc3)c3ccccc13)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: 10.207 ± 0.005 Å
• b: 13.006 ± 0.006 Å
• c: 13.541 ± 0.006 Å
• α: 94.16 ± 0.006°
• β: 90.439 ± 0.007°
• γ: 97.056 ± 0.006°
• Cell volume: 1779 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0938
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No