Information card for entry 7063441

Structure parameters

• Formula: C19 H17 N O
• Calculated formula: C19 H17 N O
• Title of publication: Chiral Metal-dithiocarbamate Complexes Holding Pendant Phenolic Groups: Synthesis, Crystallographic, Photophysical and In-silico Study
• Authors of publication: Patel, Shaily; Deshmukh, Aniket A.; Kahar, Lata; Pallepogu, Raghavaiah; Singh, Vinay Kumar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 7.9937 ± 0.001 Å
• b: 8.0745 ± 0.0009 Å
• c: 11.8456 ± 0.0014 Å
• α: 90°
• β: 94.29 ± 0.011°
• γ: 90°
• Cell volume: 762.43 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No