Information card for entry 7239214

Structure parameters

• Formula: C23 H20 I O6
• Calculated formula: C23.004 H20.004 I O6
• Title of publication: Hetero Diels‒Alder reaction of olefin with o-quinone methides generated using (±)-binolphosphoric acid for the stereoselective synthesis of 2,4-diarylbenzopyrans: application to the formal synthesis of myristinin B/C
• Authors of publication: Gharpure, Santosh J.; Sathiyanarayanan, A. M.; Vuram, Prasanna K.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 40
• Pages of publication: 18279
• a: 9.333 ± 0.0004 Å
• b: 9.5986 ± 0.0004 Å
• c: 14.6529 ± 0.0007 Å
• α: 107.576 ± 0.002°
• β: 92.267 ± 0.002°
• γ: 90.024 ± 0.002°
• Cell volume: 1250.3 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0691
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1982
• Weighted residual factors for all reflections included in the refinement: 0.2301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No