Information card for entry 1554909

Structure parameters

• Formula: C21 H24 B N O2
• Calculated formula: C21 H24 B N O2
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc2ccn(c2c1c1ccccc1)C
• Title of publication: Platinum(0)-Catalyzed Indolyne Insertion into Bis(pinacolato)diboron Followed by Site-Selective Suzuki-Miyaura Cross-Coupling.
• Authors of publication: Pareek, Manish; Fallon, Thomas; Oestreich, Martin
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 2082 - 2085
• a: 9.82013 ± 0.00019 Å
• b: 15.1033 ± 0.0003 Å
• c: 12.9881 ± 0.0002 Å
• α: 90°
• β: 93.8267 ± 0.0017°
• γ: 90°
• Cell volume: 1922.05 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0464
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No