Information card for entry 7709628

Structure parameters

• Formula: C26 H16 N2
• Calculated formula: C26 H16 N2
• Title of publication: Pyrene and porphyrin-based Zn metal 1-D-polymer: synthesis, molecular structure, and photocatalytic property
• Authors of publication: Gupta, Gajendra; Kim, Miyeon; Singh, Neetu; Lee, Junseong; Lee, Chang Yeon
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.0306 ± 0.0006 Å
• b: 5.4848 ± 0.0003 Å
• c: 13.9759 ± 0.0007 Å
• α: 90°
• β: 91.922 ± 0.003°
• γ: 90°
• Cell volume: 845.08 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.0624
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No