Information card for entry 1502752

Structure parameters

• Common name: Acrinol anhydrous form II
• Formula: C18 H21 N3 O4
• Calculated formula: C18 H21 N3 O4
• Title of publication: Physicochemical Understanding of Polymorphism and Solid-State Dehydration/Rehydration Processes for the Pharmaceutical Material Acrinol, by Ab Initio Powder X-ray Diffraction Analysis and Other Techniques
• Authors of publication: Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Hasegawa, Gen; Yonemochi, Etsuo; Terada, Katsuhide; Pan, Zhigang; Harris, Kenneth D. M.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2010
• Journal volume: 114
• Journal issue: 1
• Pages of publication: 580
• a: 14.0496 ± 0.0005 Å
• b: 11.80399 ± 0.00019 Å
• c: 20.9323 ± 0.0008 Å
• α: 90°
• β: 100.936 ± 0.0033°
• γ: 90°
• Cell volume: 3408.4 ± 0.19 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• RFsqd: 0.08533
• Goodness-of-fit parameter for all reflections: 3.61
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No