Information card for entry 7160037

Structure parameters

• Formula: C52 H42 N2 O6 S4
• Calculated formula: C52 H42 N2 O6 S4
• 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: 10.1057 ± 0.0006 Å
• b: 14.2072 ± 0.0008 Å
• c: 16.1701 ± 0.0009 Å
• α: 75.486 ± 0.002°
• β: 74.112 ± 0.002°
• γ: 83.093 ± 0.002°
• Cell volume: 2158.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.153
• 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