Information card for entry 1573446

Structure parameters

• Formula: C32 H22 N6 O2
• Calculated formula: C32 H22 N6 O2
• SMILES: c1(cc2n(c3ccc(cc3)C)c(cc2n1c1ccc(cc1)C)c1cc2nonc2cc1)c1cc2nonc2cc1
• Title of publication: Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.
• Authors of publication: Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 2170 - 2179
• a: 23.4345 ± 0.0004 Å
• b: 7.9786 ± 0.0002 Å
• c: 13.6019 ± 0.0002 Å
• α: 90°
• β: 105.599 ± 0.002°
• γ: 90°
• Cell volume: 2449.54 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No