Information card for entry 1548328

Structure parameters

• Formula: C20 H17 N O2
• Calculated formula: C20 H17 N O2
• SMILES: n1c2c3c(ccc4c(cccc34)C)c3OC[C@@H](c3c2oc1C)C
• Title of publication: Oxazole-Containing Diterpenoids from Cell Cultures of Salvia miltiorrhiza and Their Anti-HIV-1 Activities.
• Authors of publication: Zhang, Dewu; Guo, Jiamei; Zhang, Min; Liu, Xiao; Ba, Mingyu; Tao, Xiaoyu; Yu, Liyan; Guo, Ying; Dai, Jungui
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 12
• Pages of publication: 3241 - 3246
• a: 7.3007 ± 0.0019 Å
• b: 10.496 ± 0.007 Å
• c: 10.861 ± 0.001 Å
• α: 70.26 ± 0.08°
• β: 77 ± 0.06°
• γ: 81.658 ± 0.01°
• Cell volume: 761.1 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No