Information card for entry 4516913

Structure parameters

• Formula: C24 H20 N4 O8 S2
• Calculated formula: C24 H20 N4 O8 S2
• SMILES: c1(c(c2c(c(c(cc2)N(=O)=O)NS(=O)(=O)c2ccc(cc2)C)cc1)NS(=O)(=O)c1ccc(cc1)C)N(=O)=O
• Title of publication: Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.
• Authors of publication: Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.
• Journal of publication: ACS omega
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 6023 - 6030
• a: 25.456 ± 0.0003 Å
• b: 5.6041 ± 0.0001 Å
• c: 16.3636 ± 0.0002 Å
• α: 90°
• β: 97.0043 ± 0.0004°
• γ: 90°
• Cell volume: 2316.98 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0324
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No