Information card for entry 7040401

Structure parameters

• Formula: C23 H42 B N3
• Calculated formula: C23 H42 B N3
• SMILES: [B]1([N](=C(N(C)C)N1C(C)C)C(C)C)([C@H]1[C@@H]2CC[C@H](C1)C2)[C@H]1[C@@H]2CC[C@H](C1)C2.[B]1([N](=C(N(C)C)N1C(C)C)C(C)C)([C@@H]1[C@H]2CC[C@@H](C1)C2)[C@@H]1[C@H]2CC[C@@H](C1)C2
• 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: 10.905 ± 0.0019 Å
• b: 20.244 ± 0.003 Å
• c: 10.069 ± 0.002 Å
• α: 90°
• β: 90.655 ± 0.003°
• γ: 90°
• Cell volume: 2222.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1555
• Residual factor for significantly intense reflections: 0.1174
• Weighted residual factors for significantly intense reflections: 0.2958
• Weighted residual factors for all reflections included in the refinement: 0.3235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No