Information card for entry 1511780

Structure parameters

• Common name: KA_D_P
• Chemical name: KA_D_P
• Formula: C8 H4 D K O4
• Calculated formula: C8 H4 D K O4
• SMILES: c1(ccccc1C(=O)[O-])C(=O)O[2H].[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: 9.598 ± 0.002 Å
• b: 13.32 ± 0.003 Å
• c: 6.4599 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 825.9 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• 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: 0.0477
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No