Information card for entry 7103413

Structure parameters

• Formula: C35 H54 N P
• Calculated formula: C35 H54 N P
• SMILES: P1([C@H]2N([C@@H](C[C@@H]12)C)c1c(cccc1C(C)C)C(C)C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C.P1([C@@H]2N([C@H](C[C@H]12)C)c1c(cccc1C(C)C)C(C)C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: A persistent P,N-heterocyclic carbene.
• Authors of publication: Frey, Guido D; Song, Maoying; Bourg, Jean-Baptiste; Donnadieu, Bruno; Soleilhavoup, Michele; Bertrand, Guy
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 39
• Pages of publication: 4711 - 4713
• a: 11.33 ± 0.013 Å
• b: 17.35 ± 0.02 Å
• c: 15.903 ± 0.019 Å
• α: 90°
• β: 93.133 ± 0.016°
• γ: 90°
• Cell volume: 3122 ± 6 ų
• Cell 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: 0.2035
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.2199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No