Information card for entry 4508227

Structure parameters

• Common name: pyrogallol_tetartohydrate
• Chemical name: 1,2,3-trihydroxybenzene
• Formula: C24 H26 O13
• Calculated formula: C24 H24 O13
• Title of publication: Absorbing a Little Water: The Structural, Thermodynamic, and Kinetic Relationship between Pyrogallol and Its Tetarto-Hydrate.
• Authors of publication: Braun, Doris E.; Bhardwaj, Rajni M.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Griesser, Ulrich J.; Tocher, Derek A.; Price, Sarah L.
• Journal of publication: Crystal growth & design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 4071 - 4083
• a: 24.6058 ± 0.0006 Å
• b: 24.6058 ± 0.0006 Å
• c: 3.8524 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2332.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Goodness-of-fit parameter for all reflections: 3.05
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No