Information card for entry 7055012

Structure parameters

• Formula: C21 H27 N3
• Calculated formula: C21 H27 N3
• SMILES: N(=C(Nc1c(cccc1C)C)\N1CCCC1)/c1c(cccc1C)C
• Title of publication: Catalyst free C–N bond formation by the reaction of amines with diimides: Bulky guanidines
• Authors of publication: Baishya, Ashim; Peddarao, Thota; Barman, Milan Kumar; Nembenna, Sharanappa
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 7503 - 7510
• a: 8.443 ± 0.002 Å
• b: 10.304 ± 0.002 Å
• c: 12.134 ± 0.002 Å
• α: 69.409 ± 0.01°
• β: 81.907 ± 0.01°
• γ: 77.454 ± 0.01°
• Cell volume: 962.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No