Information card for entry 7224825

Structure parameters

• Formula: C14 H18 B N O2
• Calculated formula: C14 H18 B N O2
• SMILES: B1(n2ccc3c2cccc3)OC(C(O1)(C)C)(C)C
• Title of publication: Alkali Metal Catalyzed Dehydro-coupling of Boranes and Amines Leading to the Formation of B-N Bond
• Authors of publication: Panda, Tarun Kanti Kanti; Harinath, A.; Anga, Srinivas
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.9037 ± 0.0016 Å
• b: 10.603 ± 0.002 Å
• c: 13.511 ± 0.003 Å
• α: 71.175 ± 0.019°
• β: 88.013 ± 0.015°
• γ: 88.035 ± 0.015°
• Cell volume: 1341.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1598
• Residual factor for significantly intense reflections: 0.1084
• Weighted residual factors for significantly intense reflections: 0.331
• Weighted residual factors for all reflections included in the refinement: 0.3779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No