Information card for entry 7222303

Structure parameters

• Formula: C47 H44 Cl2 N2 O2
• Calculated formula: C47 H44 Cl2 N2 O2
• SMILES: [C@@H]1([C@@H](CCCC1)NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• 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: 9.0299 ± 0.0002 Å
• b: 10.5552 ± 0.0002 Å
• c: 20.7459 ± 0.0003 Å
• α: 90°
• β: 94.859 ± 0.002°
• γ: 90°
• Cell volume: 1970.24 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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 all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No