Information card for entry 1513476

Structure parameters

• Common name: DACRearranged
• Formula: C24 H28 N2 O2
• Calculated formula: C24 H28 N2 O2
• SMILES: N1(C(=N\c2c(cc(cc2C)C)C)\C(=O)C(C1=O)(C)C)c1c(cc(cc1C)C)C
• Title of publication: Exploring the chemistry of n,n'-diamidocarbenes with organophosphorus compounds.
• Authors of publication: Chase, Daniel T.; Moerdyk, Jonathan P.; Bielawski, Christopher W.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 812 - 815
• a: 17.07 ± 0.004 Å
• b: 16.146 ± 0.004 Å
• c: 7.7572 ± 0.0017 Å
• α: 90°
• β: 91.011 ± 0.005°
• γ: 90°
• Cell volume: 2137.6 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1198
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2249
• Weighted residual factors for all reflections included in the refinement: 0.2434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No