Information card for entry 1508274

Structure parameters

• Formula: C59 H70 O18
• Calculated formula: C59 H70 O18
• SMILES: C1(=O)[C@@H]2[C@H]([C@@]3([C@H](CC(=O)OC3)[C@]1([C@@H]1C(=C2)[C@H]2[C@@](CC1)([C@H](c1cocc1)OC(=O)C2)C)C)C)OC(=O)C.O.O=C(C)C
• Title of publication: Moluccensins R-Y, Limonoids from the Seeds of a Mangrove, Xylocarpus moluccensis.
• Authors of publication: Li, Jun; Li, Min-Yi; Feng, Gang; Zhang, Jing; Karonen, Maarit; Sinkkonen, Jari; Satyanandamurty, Tirumani; Wu, Jun
• Journal of publication: Journal of natural products
• Year of publication: 2012
• Journal volume: 75
• Journal issue: 7
• Pages of publication: 1277 - 1283
• a: 11.2839 ± 0.0002 Å
• b: 10.5826 ± 0.0002 Å
• c: 22.4195 ± 0.0004 Å
• α: 90°
• β: 95.031 ± 0.002°
• γ: 90°
• Cell volume: 2666.87 ± 0.08 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: 0.0421
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No