Information card for entry 7245657

Structure parameters

• Formula: C23 H24 N2 O4 S
• Calculated formula: C23 H24 N2 O4 S
• SMILES: S(=O)(=O)([O-])c1ccccc1C=O.[n+]1(ccc(cc1)/C=C/c1ccc(N(C)C)cc1)C
• Title of publication: Analysis of the growth and physicochemical properties of the newly developed stilbazolium derivative 4-N,N-dimethylamino-4-N-methyl stilbazolium 2-formyl benzene sulfonate (DSFS) single crystal: an effective material for nonlinear optical applications
• Authors of publication: Anand, Sekar; Rani, Muthurakku Usha; Kalainathan, Sivaperuman; Babu, Ravi Shanker
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 45
• Pages of publication: 29022 - 29033
• a: 8.3812 ± 0.0007 Å
• b: 9.8732 ± 0.0008 Å
• c: 13.0649 ± 0.0011 Å
• α: 82.404 ± 0.003°
• β: 88.395 ± 0.003°
• γ: 86.109 ± 0.003°
• Cell volume: 1068.96 ± 0.15 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0787
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No