Information card for entry 4505068

Structure parameters

• Formula: C24 H24 N2 O6 S2
• Calculated formula: C24 H24 N2 O6 S2
• SMILES: S(=O)(=O)([O-])c1ccc(cc1)C.S(=O)(=O)([O-])c1ccc(cc1)C.[nH+]1ccc(cc1)c1cc[nH+]cc1
• Title of publication: A 3D-Honeycomb Network with Unique Encapsulation of Dimers of 1D-Chains
• Authors of publication: Biradha, Kumar; Mahata, Goutam
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 49
• a: 9.521 ± 0.0019 Å
• b: 19.944 ± 0.004 Å
• c: 26.149 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4965.4 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.2195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No