Information card for entry 7229944

Structure parameters

• Common name: 11-Aza:L-Mal
• Formula: C34 H52 N2 O13
• Calculated formula: C34 H52 N2 O13
• Title of publication: 11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons
• Authors of publication: Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 9
• Pages of publication: 1205
• a: 17.7811 ± 0.0003 Å
• b: 10.3174 ± 0.0002 Å
• c: 9.49693 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1742.26 ± 0.05 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No