Information card for entry 1556193

Structure parameters

• Common name: 13024a
• Formula: C30 H26 Br2 O5
• Calculated formula: C30 H26 Br2 O5
• SMILES: Brc1ccc(C(=O)Oc2c3[C@H]4[C@H]5[C@](Oc3cc(OC(=O)c3ccc(Br)cc3)c2)(C)CC[C@H]5C4(C)C)cc1.Brc1ccc(C(=O)Oc2c3[C@@H]4[C@@H]5[C@@](Oc3cc(OC(=O)c3ccc(Br)cc3)c2)(C)CC[C@@H]5C4(C)C)cc1
• Title of publication: Total syntheses of cannabicyclol, clusiacyclol A and B, iso-eriobrucinol A and B, and eriobrucinol.
• Authors of publication: Yeom, Hyun-Suk; Li, Hui; Tang, Yu; Hsung, Richard P.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 3130 - 3133
• a: 9.8739 ± 0.0005 Å
• b: 19.0209 ± 0.0009 Å
• c: 13.9849 ± 0.0007 Å
• α: 90°
• β: 94.282 ± 0.001°
• γ: 90°
• Cell volume: 2619.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No