Information card for entry 7229939

Structure parameters

• Common name: 11-Azaart
• Chemical name: 11-azaartemisinin
• Formula: C15 H23 N O4
• Calculated formula: C15 H23 N O4
• SMILES: O1O[C@]2(O[C@H]3NC(=O)[C@@H]([C@H]4[C@@]13[C@@H](CC2)[C@@H](CC4)C)C)C
• 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: 11.71759 ± 0.00015 Å
• b: 11.71759 ± 0.00015 Å
• c: 9.48728 ± 0.00013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1128.1 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No