Information card for entry 2008889

Structure parameters

• Chemical name: N,N'‒bis‒(2‒tosylaminobenzylidene)‒1,3‒propanediamine
• Formula: C31 H32 N4 O4 S2
• Calculated formula: C31 H32 N4 O4 S2
• SMILES: S(=O)(=O)(Nc1ccccc1/C=N/CCC/N=C/c1ccccc1NS(=O)(=O)c1ccc(cc1)C)c1ccc(C)cc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-tosylaminobenzylidene)-1,3-propanediamine
• Authors of publication: Mahía, José; Maestro, Miguel A.; Vázquez, Miguel; Bermejo, Manuel R.; Sanmartín, Jesús; Maneiro, Marcelino
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1545 - 1547
• a: 8.866 Å
• b: 12.9431 ± 0.0002 Å
• c: 13.9107 ± 0.0002 Å
• α: 103.112 ± 0.001°
• β: 102.296 ± 0.001°
• γ: 93.03°
• Cell volume: 1510.41 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0756
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections: 0.1535
• Weighted residual factors for significantly intense reflections: 0.1341
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No