Information card for entry 1503734

Structure parameters

• Formula: C22 H24 Br O6
• Calculated formula: C22 H24 Br O6
• SMILES: Brc1ccc(C(=O)O[C@@H]2O[C@H]3[C@@H]4CC(C[C@@H]4[C@@]2([C@@H]2[C@@]3(O)COC2=O)C)(C)C)cc1
• Title of publication: Clavicorolides A and B, sesquiterpenoids from the fermentation products of edible fungus Clavicorona pyxidata.
• Authors of publication: Zheng, Yongbiao; Shen, Yuemao
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 109 - 112
• a: 7.6492 ± 0.0018 Å
• b: 11.685 ± 0.003 Å
• c: 23.902 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2136.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0821
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No