Information card for entry 4326328

Structure parameters

• Formula: C25 H11 Br O6
• Calculated formula: C25 H13 Br O6
• SMILES: Brc1cc2C3(OC(=O)c4ccccc34)c3ccc(O)c(C=O)c3Oc2c2c1cc(O)cc2
• Title of publication: Seminaphthofluorescein-Based Fluorescent Probes for Imaging Nitric Oxide in Live Cells
• Authors of publication: Michael D. Pluth; Maria R. Chan; Lindsey E. McQuade; Stephen J. Lippard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9385 - 9392
• a: 12.341 ± 0.0017 Å
• b: 9.2424 ± 0.0013 Å
• c: 18.168 ± 0.003 Å
• α: 90°
• β: 101.631 ± 0.002°
• γ: 90°
• Cell volume: 2029.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No