Information card for entry 7233035

Structure parameters

• Chemical name: NPED SNND
• Formula: C20 H16 N3 O4
• Calculated formula: C19 H25 N3 O
• Title of publication: Subtle structural variation in azine/imine derivatives controls Zn2+ sensitivity: ESIPT-CHEF combination for nano-molar detection of Zn2+ with DFT support
• Authors of publication: Khanra, Somnath; Ta, Sabyasachi; Ghosh, Milan; Chatterjee, Sudeshna; Das, Debasis
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 37
• Pages of publication: 21302
• a: 10.8682 ± 0.0005 Å
• b: 11.1818 ± 0.0006 Å
• c: 16.0637 ± 0.0008 Å
• α: 88.542 ± 0.003°
• β: 73.254 ± 0.002°
• γ: 70.084 ± 0.003°
• Cell volume: 1751.83 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2233
• Weighted residual factors for all reflections included in the refinement: 0.2493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.575
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No