Information card for entry 7239211

Structure parameters

• Formula: C25 H26 O5
• Calculated formula: C25 H26 O5
• 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: 8.2985 ± 0.0003 Å
• b: 28.795 ± 0.0011 Å
• c: 9.4916 ± 0.0003 Å
• α: 90°
• β: 111.617 ± 0.002°
• γ: 90°
• Cell volume: 2108.55 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No