Information card for entry 1548348

Structure parameters

• Common name: paracetamol
• Chemical name: N-(4-hydroxyfenyl)ethanamid
• Formula: C8 H9 N O2
• Calculated formula: C8 H9 N O2
• SMILES: Oc1ccc(NC(=O)C)cc1
• Title of publication: Hydrogen positions in single nanocrystals revealed by electron diffraction
• Authors of publication: Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana
• Journal of publication: Science
• Year of publication: 2017
• Journal volume: 355
• Journal issue: 6321
• Pages of publication: 166 - 169
• a: 7.232 Å
• b: 11.76 Å
• c: 17.16 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1459.43 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.1845
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for significantly intense reflections: 3.73
• Goodness-of-fit parameter for all reflections included in the refinement: 2.63
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0335 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No