Information card for entry 1504538

Structure parameters

• Formula: C22 H28 N4
• Calculated formula: C22 H28 N4
• SMILES: N1(C[C@H](N(C\1=N/C#N)C(C)(C)C)c1cc2c(cccc2)cc1)C(C)(C)C
• Title of publication: Cu(I)-catalyzed cycloguanidination of olefins.
• Authors of publication: Zhao, Baoguo; Du, Haifeng; Shi, Yian
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 1087 - 1090
• a: 8.854 ± 0.0002 Å
• b: 10.1088 ± 0.0003 Å
• c: 11.9207 ± 0.0003 Å
• α: 105.763 ± 0.002°
• β: 90.439 ± 0.002°
• γ: 95.36 ± 0.002°
• Cell volume: 1021.72 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1671
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No