Information card for entry 7115539

Structure parameters

• Formula: C44 H52 N8 O14 Pd4
• Calculated formula: C44 H52 N8 O14 Pd4
• Title of publication: Mechanochemical C-H bond activation: rapid and regioselective double cyclopalladation monitored by in situ Raman spectroscopy
• Authors of publication: Marina Juribasic; Krunoslav Uzarevic; Davor Gracin; Manda Curic
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10287
• a: 7.9571 ± 0.0003 Å
• b: 23.6001 ± 0.0008 Å
• c: 13.0293 ± 0.0005 Å
• α: 90°
• β: 92.124 ± 0.004°
• γ: 90°
• Cell volume: 2445.07 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No