Information card for entry 4128363

Structure parameters

• Formula: C273.27 H366.41 N89.81 O140.75 Pd12
• Calculated formula: C273.268 H366.408 N89.809 O140.745 Pd11.999
• Title of publication: Site-Selective Functionalization of Linear Diterpenoids through U-Shaped Folding in a Confined Artificial Cavity.
• Authors of publication: Takezawa, Hiroki; Kanda, Tomoya; Nanjo, Hikaru; Fujita, Makoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 13
• Pages of publication: 5112 - 5115
• a: 27.2333 ± 0.0015 Å
• b: 27.3279 ± 0.0015 Å
• c: 32.2689 ± 0.0018 Å
• α: 101.089 ± 0.001°
• β: 91.74 ± 0.001°
• γ: 107.559 ± 0.001°
• Cell volume: 22369 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1884
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.2613
• Weighted residual factors for all reflections included in the refinement: 0.3328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No