Information card for entry 7113735

Structure parameters

• Formula: C26 H27 N O
• Calculated formula: C26 H27 N O
• SMILES: N1([C@@H](C1=C(C)C)C(O)(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)C
• Title of publication: Aziridinyl anions from a chiral, nonracemic 2-isopropylidineaziridine: surprisingly diastereoselective alkylation reactions
• Authors of publication: Hayes, J. F.; Prévost, N.; Prokeš, I.; Shipman, M.; Slawin, A. M. Z.; Twin, H.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 1344 - 1345
• a: 16.847 ± 0.003 Å
• b: 22.696 ± 0.004 Å
• c: 5.6162 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2147.4 ± 0.7 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.738
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103713
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No