Information card for entry 7222306

Structure parameters

• Formula: C56 H44 N2 O2
• Calculated formula: C56 H44 N2 O2
• SMILES: C(=O)(C(c1ccccc1)(c1ccccc1)c1ccccc1)N[C@@H]1C2c3c(C(c4c2cccc4)[C@H]1NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)cccc3
• Title of publication: Double helicity induction in chiral bis(triphenylacetamides)
• Authors of publication: Kwit, Marcin; Rychlewska, Urszula; Prusinowska, Natalia; Bendzińska-Berus, Wioletta; Warżajtis, Beata; Gajewy, Jadwiga; Szymkowiak, Joanna; Jelecki, Maciej
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.2132 ± 0.0005 Å
• b: 9.3519 ± 0.0003 Å
• c: 17.3912 ± 0.0007 Å
• α: 90°
• β: 107.395 ± 0.004°
• γ: 90°
• Cell volume: 2050.72 ± 0.14 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No