Information card for entry 7160036

Structure parameters

• Formula: C26 H21 N O3 S2
• Calculated formula: C26 H21 N O3 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: 11.7341 ± 0.0005 Å
• b: 14.1653 ± 0.0006 Å
• c: 13.033 ± 0.0005 Å
• α: 90°
• β: 101.495 ± 0.002°
• γ: 90°
• Cell volume: 2122.86 ± 0.15 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: 0.0426
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No