Information card for entry 4075427

Structure parameters

• Formula: C24 H25 N3 O
• Calculated formula: C24 H25 N3 O
• SMILES: O1C(=N[C@H](C1)C(C)C)c1c(Nc2c(c3c(N)cccc3)cccc2)cccc1
• Title of publication: Modular Synthesis of a New Class of Bis(amino-oxazoline) Using Palladium-Catalyzed Buchwald−Hartwig Amination Methodology
• Authors of publication: Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Sore, Nicholas T.; Rath, Rakesh K.; McFarlane, William; Harrington, Ross W.; Clegg, William
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 18
• Pages of publication: 4341
• a: 11.8347 ± 0.0011 Å
• b: 11.6956 ± 0.0015 Å
• c: 14.5993 ± 0.0016 Å
• α: 90°
• β: 102.316 ± 0.01°
• γ: 90°
• Cell volume: 1974.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No