Information card for entry 1555283

Structure parameters

• Formula: C18 H28 O7
• Calculated formula: C18 H28 O7
• SMILES: [C@]123[C@H](CC[C@](C)(O2)OO3)[C@H](CC[C@@H]1[C@H](C)C(=O)OCCOC(=O)C)C
• Title of publication: Stable Tricyclic Antitubercular Ozonides Derived from Artemisinin.
• Authors of publication: Chaudhary, Sandeep; Sharma, Vashundhra; Jaiswal, Pradeep K.; Gaikwad, Anil N.; Sinha, Sudhir K.; Puri, Sunil K.; Sharon, Ashoke; Maulik, Prakas R.; Chaturvedi, Vinita
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 4948 - 4951
• a: 9.874 ± 0.001 Å
• b: 10.305 ± 0.002 Å
• c: 18.765 ± 0.003 Å
• α: 90°
• β: 99.09 ± 0.01°
• γ: 90°
• Cell volume: 1885.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1535
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.2449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No