Information card for entry 1551629

Structure parameters

• Formula: C16 H17 N O4 S2
• Calculated formula: C16 H17 N O4 S2
• Title of publication: Crystal Structure of an Epalrestat Methanol Solvate
• Authors of publication: IGARASHI, Ryota; NAGASE, Hiromasa; FURUISHI, Takayuki; TOMONO, Kazuo; ENDO, Tomohiro; UEDA, Haruhisa
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2015
• Journal volume: 31
• Journal issue: 0
• Pages of publication: 1
• a: 14.1757 ± 0.0003 Å
• b: 8.23382 ± 0.00015 Å
• c: 28.6476 ± 0.0006 Å
• α: 90°
• β: 102.007 ± 0.0007°
• γ: 90°
• Cell volume: 3270.59 ± 0.11 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No