Information card for entry 7212890

Structure parameters

• Common name: artemisinin-resorcinol 2/1
• Chemical name: artemisinin-resorcinol 2/1
• Formula: C36 H50 O12
• Calculated formula: C36 H50 O12
• SMILES: O=C1O[C@@H]2O[C@@]3(OO[C@@]42[C@H]([C@H]1C)CC[C@H]([C@@H]4CC3)C)C.Oc1cc(O)ccc1.O=C1O[C@@H]2O[C@@]3(OO[C@@]42[C@H]([C@H]1C)CC[C@H]([C@@H]4CC3)C)C
• Title of publication: New solid forms of artemisinin obtained through cocrystallisation
• Authors of publication: Karki, Shyam; Friščić, Tomislav; Fábián, László; Jones, William
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4038
• a: 9.5298 ± 0.0002 Å
• b: 17.3699 ± 0.0004 Å
• c: 10.4197 ± 0.0003 Å
• α: 90°
• β: 94.017 ± 0.001°
• γ: 90°
• Cell volume: 1720.55 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No