Information card for entry 7151225

Structure parameters

• Formula: C25 H44 B N O8
• Calculated formula: C25 H44 B N O8
• SMILES: C1(CCc2cc(c(c(c2)OC)OC)OC)OC(N(C(C)C)C(C)C)=[O][B]21OC(C(C)(C)O2)(C)C.O
• Title of publication: Synthesis of (S)-(-)-N-acetylcolchinol using intramolecular biaryl oxidative coupling.
• Authors of publication: Besong, Gilbert; Jarowicki, Krzysztof; Kocienski, Philip J.; Sliwinski, Eric; Boyle, F. Thomas
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 2193 - 2207
• a: 13.3627 ± 0.0003 Å
• b: 15.6068 ± 0.0003 Å
• c: 27.3395 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5701.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No