Information card for entry 4112402

Structure parameters

• Formula: C13 H16 N2 O
• Calculated formula: C13 H16 N2 O
• SMILES: c1(cccc(C)n1)N1[C@@H]2CC[C@@H](C=C2C)O1.c1(cccc(C)n1)N1[C@H]2CC[C@H](C=C2C)O1
• Title of publication: Catalytic, Highly Enantio, and Diastereoselective Nitroso Diels-Alder Reaction
• Authors of publication: Yuhei Yamamoto; Hisashi Yamamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4128 - 4129
• a: 13.33 ± 0.002 Å
• b: 7.2301 ± 0.0013 Å
• c: 11.752 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1132.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No