Information card for entry 7223771

Structure parameters

• Chemical name: potassium amino(ethanesulfonate)anthracene dihydrate
• Formula: C18 H22 K N O5 S
• Calculated formula: C18 H22 K N O5 S
• Title of publication: Water-soluble amino(ethanesulfonate) and [bis(ethanesulfonate)] anthracenes as fluorescent photoinduced electron transfer (PET) pH indicators and Fe3+chemosensors
• Authors of publication: Cardona, Maria A.; Mallia, Carl J.; Baisch, Ulrich; Magri, David C.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 3783
• a: 23.671 ± 0.005 Å
• b: 8.6038 ± 0.0019 Å
• c: 9.53 ± 0.002 Å
• α: 90°
• β: 99.236 ± 0.002°
• γ: 90°
• Cell volume: 1915.7 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No