Information card for entry 4026708

Structure parameters

• Chemical name: Tetramethyl 2,2'-((9S,10R)-1,2,3,5,6,7- hexamethoxy-9,10-dihydroanthracene- 9,10-diyl)-bis(methylene)dimalonate
• Formula: C32.25 H41.25 Cl0.75 O14.5
• Calculated formula: C32.25 H40.25 Cl0.75 O14.5
• Title of publication: (3 + 3)-Cyclodimerization of Donor-Acceptor Cyclopropanes. Three Routes to Six-Membered Rings
• Authors of publication: Olga A. Ivanova; Ekaterina M. Budynina; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 8852 - 8868
• a: 8.2762 ± 0.0008 Å
• b: 9.5852 ± 0.0009 Å
• c: 12.597 ± 0.0013 Å
• α: 82.36 ± 0.02°
• β: 80.27 ± 0.02°
• γ: 77.15 ± 0.02°
• Cell volume: 955.53 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No