Information card for entry 1552605

Structure parameters

• Formula: C23.352 H22.704 Cl0.704 O8
• Calculated formula: C23.352 H22.704 Cl0.704 O8
• 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: 23.6285 ± 0.0002 Å
• b: 16.4135 ± 0.0001 Å
• c: 5.7063 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2213.05 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections: 0.1131
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No