Information card for entry 7212891

Structure parameters

• Common name: artemisinin-orcinol 1/1
• Chemical name: artemisinin-orcinol 1/1
• Formula: C22 H30 O7
• Calculated formula: C22 H30 O7
• SMILES: O1[C@@H]2OC(=O)[C@H]([C@@H]3[C@@]42OO[C@]1(CC[C@@H]4[C@H](CC3)C)C)C.Oc1cc(cc(O)c1)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: 9.0658 ± 0.0001 Å
• b: 14.1061 ± 0.0003 Å
• c: 16.5554 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2117.16 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No