Information card for entry 7222302

Structure parameters

• Formula: C45 H40 N2 O2
• Calculated formula: C45 H40 N2 O2
• SMILES: [C@H]1(CCC[C@H]1NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 8.3781 ± 0.0002 Å
• b: 49.2719 ± 0.0009 Å
• c: 9.1582 ± 0.0002 Å
• α: 90°
• β: 115.792 ± 0.002°
• γ: 90°
• Cell volume: 3403.93 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No