Information card for entry 7248730

Structure parameters

• Chemical name: Gemmacolide X
• Formula: C30 H38 Cl O14.5
• Calculated formula: C30 H38 Cl O14.5
• Title of publication: Chlorine-containing polyacetoxybriarane diterpenoids from the octocoral Junceella fragilis
• Authors of publication: Do, Hai Nhat; Chen, Yu-Ta; Chien, Su-Ying; Chen, You-Ying; Zhang, Mingzi M.; Tsou, Lun Kelvin; Chen, Jih-Jung; Wen, Zhi-Hong; Lo, Yi-Hao; Zheng, Li-Guo; Sung, Ping-Jyun
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 17195 - 17201
• a: 12.2945 ± 0.0002 Å
• b: 12.4454 ± 0.0002 Å
• c: 22.2997 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3412.08 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.031
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No