Information card for entry 1503927

Structure parameters

• Formula: C16 H20 O7
• Calculated formula: C16 H20 O7
• Title of publication: anti-Oligoannelated THF moieties: synthesis via push-pull-substituted cyclopropanes.
• Authors of publication: Schneider, Tobias F.; Kaschel, Johannes; Dittrich, Birger; Werz, Daniel B.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2317 - 2320
• a: 11.269 ± 0.003 Å
• b: 5.309 ± 0.0016 Å
• c: 12.835 ± 0.004 Å
• α: 90°
• β: 90.832 ± 0.005°
• γ: 90°
• Cell volume: 767.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No