Information card for entry 7209086

Structure parameters

• Common name: from D:/data/P.Sapui/gsas_26052012/ps1.cif
• Formula: C21 H18 Cl N O6
• Calculated formula: C21 H18 Cl N O6
• Title of publication: Acemetacin polymorphs: a rare case of carboxylic acid catemer and dimer synthons
• Authors of publication: Sanphui, Palash; Bolla, Geetha; Das, Uday; Mukherjee, Alok K.; Nangia, Ashwini
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 34
• a: 22.5733 ± 0.0013 Å
• b: 4.89448 ± 0.00021 Å
• c: 18.3874 ± 0.0009 Å
• α: 90°
• β: 108.519 ± 0.0027°
• γ: 90°
• Cell volume: 1926.33 ± 0.17 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• RFsqd: 0.06165
• Goodness-of-fit parameter for all reflections: 2.31
• 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