Information card for entry 7033044

Structure parameters

• Formula: C22 H20 N2 O7
• Calculated formula: C22 H20 N2 O7
• Title of publication: Design of UV-Vis-NIR panchromatic crown-phthalocyanines with controllable aggregation.
• Authors of publication: Safonova, Evgeniya A.; Martynov, Alexander G.; Zolotarevskii, Viktor I.; Nefedov, Sergey E.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1366 - 1378
• a: 7.7428 ± 0.0014 Å
• b: 12.863 ± 0.002 Å
• c: 20.288 ± 0.004 Å
• α: 90°
• β: 92.172 ± 0.003°
• γ: 90°
• Cell volume: 2019.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0884
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No