Information card for entry 1506661

Structure parameters

• Formula: C26 H22 O5
• Calculated formula: C26 H22 O5
• SMILES: O1[C@]2([C@@H](C(=O)C=C2c2c(cc(cc12)OC)OC)c1ccccc1)c1ccc(cc1)OC
• Title of publication: Stereospecific synthesis of (+/-)-1,2-anhydro methyl rocaglate.
• Authors of publication: Magnus, Philip; Stent, Matthew A. H.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 18
• Pages of publication: 3853 - 3855
• a: 10.8949 ± 0.0002 Å
• b: 12.1414 ± 0.0002 Å
• c: 15.7917 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2088.92 ± 0.07 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No