Information card for entry 7130428

Structure parameters

• Common name: ORGANIC
• Formula: C14 H16 N2 O3
• Calculated formula: C14 H16 N2 O3
• Title of publication: A unique water soluble probe for measuring the cardiac marker homocysteine and its clinical validation
• Authors of publication: Debnath, Snehasish; Nair, Ratish R.; Ghosh, Riya; Kiranmai, Gaddam; Radhakishan, Narsini; Nagesh, Narayana; Chatterjee, Pabitra B.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 24.1002 ± 0.001 Å
• b: 7.601 ± 0.0003 Å
• c: 6.9925 ± 0.0003 Å
• α: 90°
• β: 95.323 ± 0.002°
• γ: 90°
• Cell volume: 1275.4 ± 0.09 ų
• Cell temperature: 117 ± 2 K
• Ambient diffraction temperature: 117 ± 2 K
• Number of distinct elements: 4
• 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: 0.0984
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No