Information card for entry 1507733

Structure parameters

• Formula: C24 H33 N3 O2
• Calculated formula: C24 H33 N3 O2
• SMILES: C1(=O)[C@]2([C@](c3ccccc3N1CCC)(C)[C@](C2)(C#N)C)C(=O)N(CCC)CCC.C1(=O)[C@@]2([C@@](c3ccccc3N1CCC)(C)[C@@](C2)(C#N)C)C(=O)N(CCC)CCC
• 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: 10.132 ± 0.0012 Å
• b: 15.1023 ± 0.0017 Å
• c: 28.17 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4310.5 ± 0.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No