Information card for entry 7153190

Structure parameters

• Formula: C26 H26 Br N3 O
• Calculated formula: C26 H26 Br N3 O
• SMILES: O=C(N(N(Cc1ccccc1)Cc1ccccc1)[C@H](C#N)C(C)C)c1ccc(Br)cc1
• Title of publication: Asymmetric organocatalytic Strecker-type reactions of aliphatic N,N-dialkylhydrazones.
• Authors of publication: Martínez-Muñoz, Aurora; Monge, David; Martín-Zamora, Eloísa; Marqués-López, Eugenia; Alvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 47
• Pages of publication: 8247 - 8255
• a: 10.807 ± 0.0004 Å
• b: 10.807 ± 0.0004 Å
• c: 40.306 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4707.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No