Information card for entry 1545225

Structure parameters

• Formula: C20 H23 N O2
• Calculated formula: C20 H23 N O2
• SMILES: N12CC[C@@H]([C@H](C1)Cc1cc(c(cc21)OC)OC)c1ccccc1.N12CC[C@H]([C@@H](C1)Cc1cc(c(cc21)OC)OC)c1ccccc1
• Title of publication: Synthesis of Tricyclic Benzazocines by Aza-Prins Reaction.
• Authors of publication: Katamura, Tomohiro; Shimizu, Tomoaki; Mutoh, Yuichiro; Saito, Shinichi
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 1
• Pages of publication: 266 - 269
• a: 10.584 ± 0.004 Å
• b: 14.302 ± 0.005 Å
• c: 11.308 ± 0.004 Å
• α: 90°
• β: 110.207 ± 0.004°
• γ: 90°
• Cell volume: 1606.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No