Information card for entry 7241629

Structure parameters

• Chemical name: NIGERICIN
• Formula: C40 H68 O11
• Calculated formula: C40 H70 O12
• SMILES: O.O=C(O)[C@@H]([C@@H]1O[C@@H](C[C@H]2O[C@]3(O[C@]([C@@H]4O[C@]([C@@H]5O[C@@H]([C@H]6O[C@](O)([C@@H](C[C@@H]6C)C)CO)C[C@@H]5C)(CC4)C)(C[C@H]3C)C)[C@@H]([C@H](OC)C2)C)CC[C@@H]1C)C
• Title of publication: Approach to nigericin derivatives and their therapeutic potential
• Authors of publication: Sahu, Amit Kumar; Said, Madhukar S.; Hingamire, Tejashri; Gaur, Megha; Khan, Abujunaid; Shanmugam, Dhanasekaran; Barvkar, Vitthal T.; Dharne, Mahesh S.; Bharde, Atul A.; Dastager, Syed G.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 70
• Pages of publication: 43085 - 43091
• a: 12.0282 ± 0.0003 Å
• b: 14.464 ± 0.0004 Å
• c: 24.0974 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4192.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No