Information card for entry 7105574

Structure parameters

• Formula: C8 H9 N O2
• Calculated formula: C8 H9 N O2
• Title of publication: “Higher density does not mean higher stability” mystery of paracetamol finally unraveled
• Authors of publication: Nelyubina, Yulia V.; Glukhov, Ivan V.; Antipin, Mikhail Yu.; Lyssenko, Konstantin A.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 3469
• a: 11.7652 ± 0.0002 Å
• b: 7.1877 ± 0.0002 Å
• c: 17.1679 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1451.8 ± 0.05 ų
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for all reflections included in the refinement: 0.021
• Goodness-of-fit parameter for all reflections included in the refinement: 2.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No