Information card for entry 1552602

Structure parameters

• Formula: C29 H26 O7
• Calculated formula: C29 H26 O7
• SMILES: O(CC1=C[C@H]2Oc3ccc(OC)cc3C[C@H]2[C@@H](OC(=O)c2ccccc2)[C@@H]1O)C(=O)c1ccccc1
• Title of publication: Polyoxygenated Cyclohexenes and Their Chlorinated Derivatives from the Leaves of Uvaria cherrevensis.
• Authors of publication: Auranwiwat, Chiramet; Wongsomboon, Puttandon; Thaima, Thanaphat; Rattanajak, Roonglawan; Kamchonwongpaisan, Sumalee; Willis, Anthony C.; Laphookhieo, Surat; Pyne, Stephen G.; Limtharakul, Thunwadee
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 1
• Pages of publication: 101 - 110
• a: 11.6492 ± 0.0003 Å
• b: 5.7715 ± 0.0001 Å
• c: 17.9296 ± 0.0004 Å
• α: 90°
• β: 95.66 ± 0.002°
• γ: 90°
• Cell volume: 1199.59 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0499
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections: 0.1282
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No