Information card for entry 1503452

Structure parameters

• Common name: psidial A
• Formula: C30 H34 O5
• Calculated formula: C30 H34 O5
• SMILES: O1[C@@]2(CC[C@@H]3[C@@H](C(=C)CC[C@H]2[C@H](c2c1c(c(O)c(c2O)C=O)C=O)c1ccccc1)CC3(C)C)C
• Title of publication: Psiguadials A and B, two novel meroterpenoids with unusual skeletons from the leaves of Psidium guajava.
• Authors of publication: Shao, Meng; Wang, Ying; Liu, Zhong; Zhang, Dong-Mei; Cao, Hui-Hui; Jiang, Ren-Wang; Fan, Chun-Lin; Zhang, Xiao-Qi; Chen, He-Ru; Yao, Xin-Sheng; Ye, Wen-Cai
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 5040 - 5043
• a: 11.1498 ± 0.0001 Å
• b: 11.1498 ± 0.0001 Å
• c: 40.4482 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5028.44 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No