Information card for entry 7158426

Structure parameters

• Formula: C38 H14 Cl4 N4 O4
• Calculated formula: C38 H14 Cl4 N4 O4
• Title of publication: Molecular tetrominoes: selective masking of the donor π-face to control the configuration of donor-acceptor complexes.
• Authors of publication: Sartucci, Jenna L.; Maity, Arindam; Mohanan, Manikandan; Bertke, Jeffery; Kertesz, Miklos; Gavvalapalli, Nagarjuna
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 2
• Pages of publication: 375 - 386
• a: 6.4871 ± 0.0013 Å
• b: 7.1989 ± 0.0015 Å
• c: 17.9 ± 0.004 Å
• α: 92.211 ± 0.008°
• β: 97.288 ± 0.008°
• γ: 102.06 ± 0.007°
• Cell volume: 809 ± 0.3 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: 0.0428
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No