Information card for entry 1566301

Structure parameters

• Formula: C14 H16 O3
• Calculated formula: C14 H16 O3
• Title of publication: Cadinane-Type Sesquiterpenoids with Cytotoxic Activity from the Infected Stems of the Semi-mangrove <i>Hibiscus tiliaceus</i>.
• Authors of publication: Chen, De-Li; Chen, Mei-Ying; Hou, Yong; Wang, Can-Hong; Sun, Zhao-Cui; Yang, Yun; Liang, Han-Qiao; Ma, Guo-Xu; Xu, Xu-Dong; Wei, Jian-He
• Journal of publication: Journal of natural products
• Year of publication: 2022
• Journal volume: 85
• Journal issue: 1
• Pages of publication: 127 - 135
• a: 14.155 ± 0.0004 Å
• b: 9.2926 ± 0.0002 Å
• c: 18.6842 ± 0.0005 Å
• α: 90°
• β: 106.042 ± 0.003°
• γ: 90°
• Cell volume: 2361.96 ± 0.11 ų
• Cell temperature: 114.25 ± 0.1 K
• Ambient diffraction temperature: 114.25 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No