Information card for entry 7060863

Structure parameters

• Formula: C15 H14 O3
• Calculated formula: C15 H14 O3
• SMILES: O1c2c(C=C3C1=C(C=O)CCC3)ccc(OC)c2
• Title of publication: A xanthene-based novel colorimetric and fluorometric chemosensor for the detection of hydrazine and its application in the bio-imaging of live cells
• Authors of publication: Guria, Uday Narayan; Manna, Saikat Kumar; Maiti, Kalipada; Samanta, Sandip Kumar; Ghosh, Aritri; Datta, Pallab; Mandal, Debasish; Mahapatra, Ajit Kumar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 15869 - 15875
• a: 22.5345 ± 0.0018 Å
• b: 7.6383 ± 0.0006 Å
• c: 14.4857 ± 0.0012 Å
• α: 90°
• β: 108.381 ± 0.002°
• γ: 90°
• Cell volume: 2366.1 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No