Information card for entry 7219535

Structure parameters

• Formula: C29 H27 N3 O2 S
• Calculated formula: C29 H27 N3 O2 S
• SMILES: S(=O)(=O)(/N=C(N(/N=C/c1ccc(cc1)C)c1ccccc1)\Cc1ccccc1)c1ccc(cc1)C
• Title of publication: One-Pot Synthesis of Hydrazono-Sulfonamide Adducts using Cu(BTC) MOF Catalyst and Their Remarkable AIEE Properties: Unprecedented Copper(II)-Catalyzed Generation of Ketenimine
• Authors of publication: Mahendran, Vaithiyanathan; SHANMUGAM, SIVAKUMAR
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.051 ± 0.001 Å
• b: 12.003 ± 0.001 Å
• c: 17.439 ± 0.002 Å
• α: 90°
• β: 111.47 ± 0.02°
• γ: 90°
• Cell volume: 2542.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No