Information card for entry 7051753

Structure parameters

• Formula: C26 H24 N2 O5 S5
• Calculated formula: C26 H22 N2 O5 S5
• SMILES: S1(=O)(=O)Nc2c(Sc3c(S(=O)(=O)Nc4c(Sc5c1cccc5)cccc4)cccc3)cccc2.S(=O)(C)C
• Title of publication: Privileged structures: synthesis and structural investigations on tricyclic sulfonamides
• Authors of publication: Altamura, Maria; Fedi, Valentina; Giannotti, Danilo; Paoli, Paola; Rossi, Patrizia
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2219
• a: 9.261 ± 0.002 Å
• b: 10.064 ± 0.004 Å
• c: 15.947 ± 0.005 Å
• α: 99.54 ± 0.03°
• β: 90.98 ± 0.02°
• γ: 112.46 ± 0.03°
• Cell volume: 1349.3 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2886
• Weighted residual factors for all reflections included in the refinement: 0.2933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No