Information card for entry 7106386

Structure parameters

• Formula: C4 H10 B Cl N2 O
• Calculated formula: C4 H10 B Cl N2 O
• SMILES: ClCC[NH](OC)[BH2]C#N
• Title of publication: Alkoxyamine-cyanoboranes: efficient cyanoborane transfer agents
• Authors of publication: Jose M. Marquez; Elisa Martinez-Castro; Serena Gabrielli; Oscar Lopez; Ines Maya; Manuel Angulo; Eleuterio Alvarez; Jose G. Fernandez-Bolanos
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5617
• a: 6.2785 ± 0.0006 Å
• b: 6.5034 ± 0.0006 Å
• c: 9.6048 ± 0.0009 Å
• α: 83.088 ± 0.003°
• β: 87.368 ± 0.004°
• γ: 78.44 ± 0.003°
• Cell volume: 381.34 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No