Information card for entry 7205467

Structure parameters

• Formula: C24 H18 O2 S2
• Calculated formula: C24 H18 O2 S2
• Title of publication: Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones
• Authors of publication: Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 763
• a: 16.3268 ± 0.0005 Å
• b: 22.014 ± 0.0008 Å
• c: 5.3481 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1922.2 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.178
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2293
• Weighted residual factors for all reflections included in the refinement: 0.2911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No