Information card for entry 4128364

Structure parameters

• Formula: C249.04 H325.16 N83.49 O104.67 Pd12
• Calculated formula: C249.043 H325.158 N83.49 O104.666 Pd12
• 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: 27.413 ± 0.004 Å
• b: 27.587 ± 0.004 Å
• c: 32.476 ± 0.005 Å
• α: 100.778 ± 0.002°
• β: 91.868 ± 0.002°
• γ: 107.512 ± 0.002°
• Cell volume: 22905 ± 6 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: 0.121
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.272
• Weighted residual factors for all reflections included in the refinement: 0.2977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No