Information card for entry 7207071

Structure parameters

• Common name: from D:/swastik/orpow/ORG1/Newdata/ORG1INI_1.xtl
• Formula: C17 H18 O3
• Calculated formula: C17 H18 O3
• Title of publication: Structural study of three o-hydroxyacetophenone derivatives using X-ray powder diffraction: interplay of weak intermolecular interactions
• Authors of publication: Chattopadhyay, Basab; Ghosh, Soumen; Mondal, Swastik; Mukherjee, Monika; Mukherjee, Alok K.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 837
• a: 12.207 ± 0.006 Å
• b: 16.487 ± 0.008 Å
• c: 7.495 ± 0.004 Å
• α: 90°
• β: 102.952 ± 0.005°
• γ: 90°
• Cell volume: 1470 ± 1.3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• RFsqd: 0.12078
• Goodness-of-fit parameter for all reflections: 2.58
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKa1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No