Information card for entry 1552598

Structure parameters

• Formula: C32 H38 O11
• Calculated formula: C32 H36 O10.374
• SMILES: C1(=O)[C@]2([C@H]([C@@]([C@@H](C(=O)C=C3[C@@H]2CC[C@@]2(C3=CC(=O)O[C@H]2c2cocc2)C)OC(=O)/C(=C/C)C)(C)C1)[C@H](C(=O)OC)O)C.O
• Title of publication: Secophragmalin-Type Limonoids from <i>Trichilia connaroides</i>: Isolation, Semisynthesis, and Their Cytotoxic Activities.
• Authors of publication: Solipeta, Divya Reddy; Bandi, Siva; Vemulapalli, Sahithya Phani Babu; Pallavi, Preethi M. C.; Vemireddy, Sravanthi; Balasubramania, Sridhar; Mahabalarao, Sampath Kumar H.; Katragadda, Suresh Babu
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 10
• Pages of publication: 2731 - 2743
• a: 12.4671 ± 0.0002 Å
• b: 15.1639 ± 0.0003 Å
• c: 15.7932 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2985.7 ± 0.11 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1007
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No