Information card for entry 7156386

Structure parameters

• Formula: C45 H45 Cl N O7 P Pd
• Calculated formula: C45 H45 Cl N O7 P Pd
• Title of publication: Semi-syntheses of the 11-hydroxyrotenoids sumatrol and villosinol.
• Authors of publication: Russell, David A.; Freudenreich, Julien J.; Stewart, Hannah L.; Bond, Andrew D.; Sore, Hannah F.; Spring, David R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 35
• Pages of publication: 6395 - 6398
• a: 9.1935 ± 0.0001 Å
• b: 14.7832 ± 0.0002 Å
• c: 30.8543 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4193.39 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No