Information card for entry 7151588

Structure parameters

• Formula: C11 H16 O2
• Calculated formula: C11 H16 O2
• Title of publication: Synthesis of the cyclobutanone core of solanoeclepin A intramolecular allene butenolide photocycloaddition.
• Authors of publication: Hue, Bui T. B.; Dijkink, Jan; Kuiper, Sanne; Larson, Kimberly K.; Guziec, Jr, Frank S; Goubitz, Kees; Fraanje, Jan; Schenk, Henk; van Maarseveen, Jan H.; Hiemstra, Henk
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 24
• Pages of publication: 4364 - 4366
• a: 7.0166 ± 0.0003 Å
• b: 10.5703 ± 0.0006 Å
• c: 13.7222 ± 0.0013 Å
• α: 90°
• β: 102.88 ± 0.005°
• γ: 90°
• Cell volume: 992.13 ± 0.12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for all reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No