Information card for entry 4104117

Structure parameters

• Formula: C23 H22 N2 O3
• Calculated formula: C23 H22 N2 O3
• SMILES: O=C1C(Nc2c(cccc12)C#Cc1ccc(OC)c2NC(C(=O)c12)(C)C)(C)C
• Title of publication: Alkyne-Linked 2,2-Disubstituted-indolin-3-one Oligomers as Extended β-Strand Mimetics
• Authors of publication: Pauline N. Wyrembak; Andrew D. Hamilton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 4566 - 4567
• a: 11.677 ± 0.002 Å
• b: 16.749 ± 0.003 Å
• c: 20.009 ± 0.004 Å
• α: 90°
• β: 94.81 ± 0.03°
• γ: 90°
• Cell volume: 3899.5 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1773
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No