Information card for entry 1507732

Structure parameters

• Formula: C20 H24 N2 O2
• Calculated formula: C20 H24 N2 O2
• SMILES: C1(=O)[C@@]2(C(=C)c3ccccc3N1CCC)C(=O)N(C[C@@H]2C)CC=C.C1(=O)[C@]2(C(=C)c3ccccc3N1CCC)C(=O)N(C[C@H]2C)CC=C
• Title of publication: Two-step asymmetric reaction using the frozen chirality generated by spontaneous crystallization.
• Authors of publication: Yagishita, Fumitoshi; Mino, Takashi; Fujita, Tsutomu; Sakamoto, Masami
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2638 - 2641
• a: 9.1324 ± 0.0011 Å
• b: 12.9705 ± 0.0015 Å
• c: 15.2515 ± 0.0018 Å
• α: 90°
• β: 102.85 ± 0.002°
• γ: 90°
• Cell volume: 1761.3 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No