Information card for entry 4122227

Structure parameters

• Formula: C18 H18 N2 O
• Calculated formula: C18 H18 N2 O
• SMILES: [C@@H]12CC[C@@H](C=C1c1ccccc1)ON2c1cccc(C)n1.[C@H]12CC[C@H](C=C1c1ccccc1)ON2c1cccc(C)n1
• Title of publication: Catalytic, highly enantio, and diastereoselective nitroso diels-alder reaction.
• Authors of publication: Yamamoto, Yuhei; Yamamoto, Hisashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Journal issue: 13
• Pages of publication: 4128 - 4129
• a: 8.5846 ± 0.0018 Å
• b: 9.831 ± 0.002 Å
• c: 17.87 ± 0.004 Å
• α: 86.769 ± 0.004°
• β: 84.258 ± 0.004°
• γ: 74.577 ± 0.004°
• Cell volume: 1445.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4112403
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No