Information card for entry 7128402

Structure parameters

• Formula: C24 H28 N2 O2 S2
• Calculated formula: C24 H28 N2 O2 S2
• Title of publication: Straightforward <i>N</i>-alkylation of diketopyrrolopyrroles through the Mitsunobu reaction with benzyl, α-branched, and chiral alcohols.
• Authors of publication: Mastropasqua Talamo, Maurizio; Pop, Flavia; Avarvari, Narcis
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 53
• Pages of publication: 6514 - 6517
• a: 13.0653 ± 0.0011 Å
• b: 5.5363 ± 0.0003 Å
• c: 16.2264 ± 0.001 Å
• α: 90°
• β: 109.093 ± 0.008°
• γ: 90°
• Cell volume: 1109.14 ± 0.14 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No