Information card for entry 4129050

Structure parameters

• Formula: C12 H11 N O3
• Calculated formula: C12 H11 N O3
• Title of publication: Isotope Labeling Reveals Fast Atomic and Molecular Exchange in Mechanochemical Milling Reactions.
• Authors of publication: Lukin, Stipe; Tireli, Martina; Stolar, Tomislav; Barišić, Dajana; Blanco, Maria Valeria; di Michiel, Marco; Užarević, Krunoslav; Halasz, Ivan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 3
• Pages of publication: 1212 - 1216
• a: 8.4738 ± 0.00019 Å
• b: 14.00094 ± 0.00036 Å
• c: 11.47243 ± 0.00031 Å
• α: 90°
• β: 125.365 ± 0.00084°
• γ: 90°
• Cell volume: 1109.95 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• RFsqd: 0.025
• Goodness-of-fit parameter for all reflections: 2.71
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No