Information card for entry 1505263

Structure parameters

• Formula: C42 H48 O6
• Calculated formula: C42 H48 O6
• SMILES: O1[C@H](C[C@H]2O[C@H](C[C@H]([C@@H]2[C@H]1c1ccc(OC)cc1)/C=C/c1ccc(OC)cc1)CCc1ccc(OC)cc1)CCc1ccc(OC)cc1
• Title of publication: Total synthesis of (-)-blepharocalyxin D.
• Authors of publication: Ko, Haye Min; Lee, Dong Gil; Kim, Min Ah; Kim, Hak Joong; Park, Jaejoon; Lah, Myoung Soo; Lee, Eun
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 141 - 144
• a: 6.0896 ± 0.0011 Å
• b: 22.401 ± 0.004 Å
• c: 26.176 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3570.8 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.1181
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No