Information card for entry 7211599

Structure parameters

• Formula: C18 H22 N O2
• Calculated formula: C17.9875 H21.9625 N O2
• Title of publication: Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)
• Authors of publication: Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1485
• a: 5.725 ± 0.002 Å
• b: 48.556 ± 0.019 Å
• c: 11.522 ± 0.004 Å
• α: 90°
• β: 103.316 ± 0.008°
• γ: 90°
• Cell volume: 3117 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2585
• Residual factor for significantly intense reflections: 0.1314
• Weighted residual factors for significantly intense reflections: 0.2787
• Weighted residual factors for all reflections included in the refinement: 0.3532
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No