Information card for entry 4516495

Structure parameters

• Formula: C26 H32 N2 O4 S2
• Calculated formula: C26 H32 N2 O4 S2
• SMILES: C1CCCCC1SCCN1C(=O)c2c(C1=O)cc1C(=O)N(CCSC3CCCCC3)C(=O)c1c2
• Title of publication: Reversible Luminescence Vapochromism and Crystal-to-Amorphous-to-Crystal Transformations of Pseudopolymorphic Cu(I) Coordination Polymers
• Authors of publication: Kang, Gihaeng; Jeon, Youngeun; Lee, Kang Yeol; Kim, Jineun; Kim, Tae Ho
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 5183
• a: 16.1825 ± 0.0006 Å
• b: 5.4983 ± 0.0002 Å
• c: 14.0206 ± 0.0005 Å
• α: 90°
• β: 98.007 ± 0.002°
• γ: 90°
• Cell volume: 1235.34 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No