Information card for entry 1554155

Structure parameters

• Common name: DACPhenylIsocyanate
• Formula: C38 H38 N4 O4
• Calculated formula: C38 H38 N4 O4
• SMILES: O=C1N(C2(N(C(=O)C1(C)C)c1c(cc(cc1C)C)C)O/C(=N\c1ccccc1)N(C2=O)c1ccccc1)c1c(cc(cc1C)C)C
• Title of publication: Poly(2-imino-4-oxazolidinone)s via the Condensation of Diamidocarbenes with Bis(isocyanate)s
• Authors of publication: Lee, Young-Gi; Kang, Songsu; Moerdyk, Jonathan P.; Bielawski, Christopher W.
• Journal of publication: Macromolecules
• Year of publication: 2015
• Journal volume: 48
• Journal issue: 24
• Pages of publication: 9081
• a: 16.966 ± 0.004 Å
• b: 10.138 ± 0.002 Å
• c: 19.461 ± 0.005 Å
• α: 90°
• β: 104.447 ± 0.006°
• γ: 90°
• Cell volume: 3241.5 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.104
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2463
• Weighted residual factors for all reflections included in the refinement: 0.2575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No