Information card for entry 7109519

Structure parameters

• Formula: C37.25 H33 Cl3 S6
• Calculated formula: C37.25 H32 Cl3 S6
• Title of publication: Pnictogen-directed synthesis of discrete disulfide macrocycles
• Authors of publication: Mary S. Collins; Matthew E. Carnes; Aaron C. Sather; Orion B. Berryman; Lev N. Zakharov; Simon J. Teat; Darren W. Johnson
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6599
• a: 24.141 ± 0.002 Å
• b: 21.7139 ± 0.0017 Å
• c: 14.5348 ± 0.0012 Å
• α: 90°
• β: 112.434 ± 0.002°
• γ: 90°
• Cell volume: 7042.5 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No