Information card for entry 4128028

Structure parameters

• Formula: C29 H30 B N3 O8
• Calculated formula: C29 H30 B N3 O8
• Title of publication: Synthesis of (±)-Idarubicinone via Global Functionalization of Tetracene.
• Authors of publication: Dennis, David G.; Okumura, Mikiko; Sarlah, David
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 26
• Pages of publication: 10193 - 10198
• a: 9.4519 ± 0.0002 Å
• b: 16.7889 ± 0.0003 Å
• c: 16.9365 ± 0.0003 Å
• α: 90°
• β: 101.674 ± 0.0007°
• γ: 90°
• Cell volume: 2632 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No