Information card for entry 7043800

Structure parameters

• Formula: C30 H50 B N4
• Calculated formula: C30 H50 B N4
• SMILES: C1(=N\c2c(cccc2C)C)/N(C(=[N](C(C)C)[B]1(C1CCCCC1)C1CCCCC1)N(C)C)C(C)C
• Title of publication: Insertion reactions of small unsaturated molecules in the N‒B bonds of boron guanidinates
• Authors of publication: Ramos, Alberto; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Montero-Rama, María del Pilar; Villaseñor, Elena; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.452 ± 0.002 Å
• b: 29.608 ± 0.003 Å
• c: 10.93 ± 0.003 Å
• α: 90°
• β: 112.215 ± 0.004°
• γ: 90°
• Cell volume: 2831.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1441
• Residual factor for significantly intense reflections: 0.1079
• Weighted residual factors for significantly intense reflections: 0.2586
• Weighted residual factors for all reflections included in the refinement: 0.284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No