Information card for entry 7062945

Structure parameters

• Chemical name: 2,5-bis(4-(2,1,3-benzoxadiazolyl))-1,4-bis(4-dodecylphenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole
• Formula: C54.83 H67.65 Cl1.65 N6 O2
• Calculated formula: C54.824 H67.648 Cl1.648 N6 O2
• Title of publication: The effect of rigidity on the emission of quadrupolar strongly polarized dyes
• Authors of publication: Szymański, Bartosz; Sahoo, Smruti Ranjan; Valiev, Rashid; Vakuliuk, Olena; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Baryshnikov, Glib; Teimouri, Mohammad B.; Gryko, Daniel T.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 2416 - 2420
• a: 8.0413 ± 0.0005 Å
• b: 14.3206 ± 0.0008 Å
• c: 21.6156 ± 0.0008 Å
• α: 78.691 ± 0.004°
• β: 88.151 ± 0.004°
• γ: 87.222 ± 0.005°
• Cell volume: 2437.3 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0999
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No