Information card for entry 4027121

Structure parameters

• Formula: C22 H23 N O4
• Calculated formula: C22 H23 N O4
• SMILES: c1c(c(ccc1/C=C(/C=C/Cc1cc(c(cc1)OC)OC)\C#N)OC)OC
• Title of publication: Transmissive Olefination Route to Putative "Morinol I" Lignans
• Authors of publication: Lihua Yao; Bhaskar Pitta; P. C. Ravikumar; Matthew Purzycki; Fraser F. Fleming
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 3651 - 3657
• a: 7.7171 ± 0.0002 Å
• b: 8.9158 ± 0.0002 Å
• c: 15.6711 ± 0.0005 Å
• α: 100.275 ± 0.002°
• β: 100.391 ± 0.002°
• γ: 107.028 ± 0.002°
• Cell volume: 982.94 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No