Information card for entry 7160035

Structure parameters

• Formula: C24 H17 N O S2
• Calculated formula: C24 H17 N O S2
• Title of publication: Organocatalytic hydrogen bond donor/Lewis base (HBD/LB) synthesis and chiroptical properties of thiabridged [5]helicenes.
• Authors of publication: Lupi, Michela; Fabbri, Mosè; Mazzeo, Giuseppe; Longhi, Giovanna; Abbate, Sergio; Viglianisi, Caterina; Menichetti, Stefano
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 35
• Pages of publication: 7154 - 7163
• a: 9.524 ± 0.0008 Å
• b: 17.8288 ± 0.0015 Å
• c: 10.8518 ± 0.0009 Å
• α: 90°
• β: 90.262 ± 0.001°
• γ: 90°
• Cell volume: 1842.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No