Information card for entry 1507380

Structure parameters

• Formula: C17 H24 N2 O2
• Calculated formula: C17 H24 N2 O2
• SMILES: O(C(=O)[C@]1(N=CN([C@@H]1C(C)C)C(C)C)c1ccccc1)C.O(C(=O)[C@@]1(N=CN([C@H]1C(C)C)C(C)C)c1ccccc1)C
• Title of publication: Novel multicomponent reaction for the combinatorial synthesis of 2-imidazolines.
• Authors of publication: Bon, Robin S.; Hong, Chongen; Bouma, Marinus J.; Schmitz, Rob F.; de Kanter, Frans J. J.; Lutz, Martin; Spek, Anthony L.; Orru, Romano V. A.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 20
• Pages of publication: 3759 - 3762
• a: 16.862 ± 0.0002 Å
• b: 11.0458 ± 0.0001 Å
• c: 16.9723 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3161.16 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No