Information card for entry 1503624

Structure parameters

• Common name: pallambin D
• Formula: C19 H22 O4
• Calculated formula: C19 H22 O4
• SMILES: C1=CC(=O)[C@@]2([C@H](C=C)[C@]1([C@@H]1[C@@]2(C)O[C@H]2[C@@H]1OC(=O)/C2=C/C)C)C
• Title of publication: Pallambins A and B, Unprecedented Hexacyclic 19-nor-Secolabdane Diterpenoids from the Chinese Liverwort Pallavicinia ambigua.
• Authors of publication: Wang, Li-Ning; Zhang, Jiao-Zhen; Li, Xia; Wang, Xiao-Ning; Xie, Chun-Feng; Zhou, Jin-Chuan; Lou, Hong-Xiang
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1102 - 1105
• a: 8.1441 ± 0.0006 Å
• b: 28.387 ± 0.002 Å
• c: 7.2652 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1679.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No