Information card for entry 7104853

Structure parameters

• Formula: C34 H31 N3 O12
• Calculated formula: C34 H31 N3 O12
• Title of publication: Stereospecific and efficient alkynylation at the more hindered carbon of trisubstituted epoxides
• Authors of publication: Zhao, Hongda; Pagenkopf, Brian L.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 20
• Pages of publication: 2592 - 2593
• a: 6.2704 ± 0.0005 Å
• b: 22.667 ± 0.002 Å
• c: 22.866 ± 0.003 Å
• α: 90 ± 0.005°
• β: 97.697 ± 0.006°
• γ: 90 ± 0.004°
• Cell volume: 3220.7 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3457
• Residual factor for significantly intense reflections: 0.1309
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.2264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No