Information card for entry 1504954

Structure parameters

• Formula: C63 H51 Al Cl2 O5
• Calculated formula: C62 H41 Al Cl2 O5
• Title of publication: Substrate encapsulation: an efficient strategy for the RCM synthesis of unsaturated epsilon-lactones.
• Authors of publication: Pentzer, Emily B.; Gadzikwa, Tendai; Nguyen, SonBinh T
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 24
• Pages of publication: 5613 - 5615
• a: 12.2989 ± 0.0007 Å
• b: 19.4176 ± 0.0011 Å
• c: 21.8181 ± 0.0012 Å
• α: 90°
• β: 105.056 ± 0.001°
• γ: 90°
• Cell volume: 5031.6 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.144
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.3331
• Weighted residual factors for all reflections included in the refinement: 0.3723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.475
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No