Information card for entry 7126644

Structure parameters

• Formula: C26 H32 O6
• Calculated formula: C26 H32 O6
• Title of publication: A macrocycle directed total synthesis of di-O-methylendiandrin A.
• Authors of publication: Barnes, Timothy H.; Johnson, Kara F.; Gorden, John D.; Merner, Bradley L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 62
• Pages of publication: 8747 - 8749
• a: 7.3978 ± 0.0002 Å
• b: 17.6152 ± 0.0004 Å
• c: 18.2995 ± 0.0005 Å
• α: 98.202 ± 0.001°
• β: 99.446 ± 0.001°
• γ: 90.544 ± 0.001°
• Cell volume: 2326.96 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0379
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No