Information card for entry 7158535

Structure parameters

• Formula: C76 H88 O12
• Calculated formula: C76 H88 O12
• Title of publication: Regio- and stereoselective synthesis of functionalized and fused heterocycles from Morita-Baylis-Hillman adducts of dicyclopentadienone
• Authors of publication: Suresh, Alati; Lal, Sohan; Namboothiri, Irishi N.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 6.1438 ± 0.0019 Å
• b: 11.089 ± 0.004 Å
• c: 22.162 ± 0.007 Å
• α: 90°
• β: 90.296 ± 0.007°
• γ: 90°
• Cell volume: 1509.8 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No