Information card for entry 7040402

Structure parameters

• Formula: C21 H42 B N3
• Calculated formula: C21 H42 B N3
• SMILES: [B]1([N](=C(N1C(C)C)N(C)C)C(C)C)(C1CCCCC1)C1CCCCC1
• Title of publication: Dialkylboron guanidinates: syntheses, structures and carbodiimide de-insertion reactions.
• Authors of publication: Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Montero-Rama, María Pilar; Ramos, Alberto; Villaseñor, Elena; Rojas, Rene S.; Rodríguez-Diéguez, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 15350
• a: 9.6721 ± 0.0004 Å
• b: 9.9545 ± 0.0004 Å
• c: 12.9081 ± 0.0005 Å
• α: 80.504 ± 0.002°
• β: 81.237 ± 0.002°
• γ: 62.372 ± 0.002°
• Cell volume: 1081.91 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No