Information card for entry 1511783

Structure parameters

• Common name: kap87
• Chemical name: kap87
• Formula: C8 H5 K O4
• Calculated formula: C8 H5 K O4
• SMILES: c1(ccccc1C(=O)[O-])C(=O)O.[K+]
• Title of publication: Proton transfer and photoluminescence intermittency of single emitters in dyed crystals.
• Authors of publication: Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2013
• Journal volume: 117
• Journal issue: 16
• Pages of publication: 4313 - 4324
• a: 9.6172 ± 0.0006 Å
• b: 13.3264 ± 0.001 Å
• c: 6.4876 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 831.47 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No