Information card for entry 7135192

Structure parameters

• Formula: C48 H73 N3 S4
• Calculated formula: C48 H73 N3 S4
• Title of publication: Reversible cyclodimerization of cyclic (alkyl)(amino)carbene-carbon disulfide adduct.
• Authors of publication: Lim, Gayeong; Cha, Jaegeum; Kim, Youngsuk
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 93
• Pages of publication: 18384 - 18387
• a: 14.444 ± 0.0005 Å
• b: 17.6533 ± 0.0007 Å
• c: 18.4027 ± 0.0005 Å
• α: 90°
• β: 96.711 ± 0.001°
• γ: 90°
• Cell volume: 4660.2 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No