Information card for entry 7001963

Structure parameters

• Formula: C37 H42 N2
• Calculated formula: C37 H42 N2
• SMILES: N(/C=N/c1c(cccc1C(C)C)C(C)C)(C1=Cc2cccc3cccc1c23)c1c(cccc1C(C)C)C(C)C
• Title of publication: Stable crystalline annulated diaminocarbenes: coordination with rhodium(i), iridium(i) and catalytic hydroformylation studies
• Authors of publication: Dastgir, Sarim; Coleman, Karl S.; Cowley, Andrew R.; Green, Malcolm L. H.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7203
• a: 11.8694 ± 0.0002 Å
• b: 21.1724 ± 0.0004 Å
• c: 12.4791 ± 0.0002 Å
• α: 90°
• β: 107.529 ± 0.0009°
• γ: 90°
• Cell volume: 2990.43 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No