Information card for entry 7216901

Structure parameters

• Formula: C23 H27 N O Se
• Calculated formula: C23 H27 N O Se
• SMILES: [Se]=C(N(Cc1ccccc1)Cc1ccccc1)[C@H]([C@H](O)C(=C)C)CC=C
• Title of publication: Aldol-type condensation reactions of lithium eneselenolates generated from selenoamides with aldehydes
• Authors of publication: Murai, Toshiaki; Suzuki, Akiko; Kato, Shinzi
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 2711
• a: 7.445 ± 0.002 Å
• b: 10.865 ± 0.002 Å
• c: 13.339 ± 0.001 Å
• α: 90°
• β: 100.69 ± 0.01°
• γ: 90°
• Cell volume: 1060.3 ± 0.4 ų
• Cell temperature: 193.2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No