Information card for entry 1506662

Structure parameters

• Formula: C26 H22 O5
• Calculated formula: C26 H22 O5
• SMILES: O1c2c(C(=CC1=Cc1ccccc1)C(=O)c1ccc(cc1)OC)c(cc(c2)OC)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: 7.115 ± 0.0002 Å
• b: 10.4338 ± 0.0004 Å
• c: 14.1498 ± 0.0005 Å
• α: 89.289 ± 0.002°
• β: 90.728 ± 0.002°
• γ: 107.279 ± 0.002°
• Cell volume: 1002.9 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No