Information card for entry 7021443

Structure parameters

• Formula: C20 H36 N6
• Calculated formula: C20 H36 N6
• SMILES: C(=Nc1ccc(N=C(NC(C)C)NC(C)C)cc1)(NC(C)C)NC(C)C
• Title of publication: Asymmetric niobium guanidinates as intermediates in the catalytic guanylation of amines.
• Authors of publication: Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Suárez, Francisco J; López-Solera, Isabel; Fernández-Galán, Rafael; Villaseñor, Elena
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 8223 - 8230
• a: 9.6476 ± 0.0007 Å
• b: 16.4666 ± 0.0012 Å
• c: 8.4418 ± 0.0006 Å
• α: 90°
• β: 98.015 ± 0.005°
• γ: 90°
• Cell volume: 1327.99 ± 0.17 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 3
• 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: 0.1171
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No