Information card for entry 1552607

Structure parameters

• Formula: C38 H54 O4
• Calculated formula: C38 H54 O4
• SMILES: Oc1ccc2c3[C@@H](C[C@H]4C(CCC[C@]24C)(C)C)C[C@H](Oc13)C(=C\C[C@H]1C(=C)CC[C@H]2[C@@](CCC[C@]12C)(C(=O)OC)C)\C
• Title of publication: Taicrypnacids A and B, a Pair of C₃₇ Heterodimeric Diterpenoid Stereoisomers from <i>Taiwania cryptomerioides</i>.
• Authors of publication: Wang, Wen-Li; Zhu, Dong-Rong; Chen, Chen; Zhu, Tian-Yu; Han, Chao; Liu, Fei-Yan; Li, Ling-Nan; Luo, Jian-Guang; Kong, Ling-Yi
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 8
• Pages of publication: 2087 - 2093
• a: 7.543 ± 0.0002 Å
• b: 11.3039 ± 0.0003 Å
• c: 19.2193 ± 0.0006 Å
• α: 90°
• β: 91.587 ± 0.002°
• γ: 90°
• Cell volume: 1638.11 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No