Information card for entry 7245601

Structure parameters

• Chemical name: napalilactone
• Formula: C14 H21 Cl O3
• Calculated formula: C14 H21 Cl O3
• Title of publication: Norsesquiterpenoids from the octocoral Paralemnalia thyrsoides (Ehrenberg 1834)
• Authors of publication: Phan, Gia Hung; Hu, Hao-Chun; Chang, Fang-Rong; Wen, Zhi-Hong; Chen, Jih-Jung; Chung, Hsu-Ming; Tsai, Yu-Chi; Sung, Ping-Jyun
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 43
• Pages of publication: 27970 - 27976
• a: 8.2367 ± 0.0002 Å
• b: 9.9002 ± 0.0003 Å
• c: 17.2237 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1404.51 ± 0.07 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: 0.0621
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No