Information card for entry 1540717

Structure parameters

• Formula: C14 H11 N O3
• Calculated formula: C14 H11 N O3
• SMILES: C1(=O)c2c(C(=O)O1)cc1c(c2)ccc(c1)N(C)C
• Title of publication: A ratiometric fluorescent probe for detection of biogenic primary amines with nanomolar sensitivity.
• Authors of publication: Mallick, Suman; Chandra, Falguni; Koner, Apurba L.
• Journal of publication: The Analyst
• Year of publication: 2016
• Journal volume: 141
• Journal issue: 3
• Pages of publication: 827 - 831
• a: 6.916 ± 0.0007 Å
• b: 8.3188 ± 0.0008 Å
• c: 10.4144 ± 0.0009 Å
• α: 76.992 ± 0.003°
• β: 76.986 ± 0.003°
• γ: 86.369 ± 0.004°
• Cell volume: 568.75 ± 0.09 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No