Information card for entry 7223432

Structure parameters

• Chemical name: o-vanillylidene-D-Penicillamine
• Formula: C13.33 H17.33 N O4.33 S
• Calculated formula: C13.33 H15 N O4.33 S
• Title of publication: Fluorescence response of a thiazolidine carboxylic acid derivative for the selective and nanomolar detection of Zn(II) ions: quantum chemical calculations and application in real samples
• Authors of publication: Balakrishnan, C.; M, Theetharappan; Natarajan, Satheesh; S, Thalamuthu; M A, Neelakantan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.014 ± 0.002 Å
• b: 14.014 ± 0.002 Å
• c: 6.475 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1101.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No