Information card for entry 4000956

Structure parameters

• Formula: C18 H17 N3 O
• Calculated formula: C18 H17 N3 O
• SMILES: n1(c2ccccc2c2ccccc12)CCNC(=O)[C@H](C)[N]#[C]
• Title of publication: Synthesis, Characterization, and Surface Initiated Polymerization of Carbazole Functionalized Isocyanides
• Authors of publication: Schwartz, Erik; Lim, Eunhee; Gowda, Chandrakala M.; Liscio, Andrea; Fenwick, Oliver; Tu, Guoli; Palermo, Vincenzo; de Gelder, Rene; Cornelissen, Jeroen J. L. M.; Van Eck, Ernst R. H.; Kentgens, Arno P. M.; Cacialli, Franco; Nolte, Roeland J. M.; Samorì, Paolo; Huck, Wilhelm T. S.; Rowan, Alan E.
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 8
• Pages of publication: 2597
• a: 9.0264 ± 0.0008 Å
• b: 9.906 ± 0.0004 Å
• c: 16.8195 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1503.92 ± 0.17 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections: 1.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No