Information card for entry 7210137

Structure parameters

• Formula: C26 H28 N4 O4
• Calculated formula: C26 H28 N4 O4
• Title of publication: ‘Masked synthons’ in crystal engineering: insulated components in acetaminophen cocrystal hydrates
• Authors of publication: Sander, John R. G.; Bučar, Dejan-Krešimir; Henry, Rodger F.; Giangiorgi, Brittany N.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 4816
• a: 9.2028 ± 0.0009 Å
• b: 11.529 ± 0.0012 Å
• c: 11.7206 ± 0.0012 Å
• α: 93.341 ± 0.001°
• β: 99.526 ± 0.001°
• γ: 102.804 ± 0.001°
• Cell volume: 1190.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No