Information card for entry 1570055

Structure parameters

• Formula: C14 H8 Cl2 O2 S3
• Calculated formula: C14 H8 Cl2 O2 S3
• Title of publication: 2,2′-Trisulfanediyldibenzoyl Chloride
• Authors of publication: Aitken, R. Alan; Campbell, Alexandra H.; Fletcher, Chloé E.; Slawin, Alexandra M. Z.
• Journal of publication: Molbank
• Year of publication: 2023
• Journal volume: 2023
• Journal issue: 3
• Pages of publication: M1731
• a: 15.1011 ± 0.001 Å
• b: 48.312 ± 0.003 Å
• c: 4.2805 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3122.9 ± 0.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No