Information card for entry 7063903

Structure parameters

• Formula: C48 H44 N4 O6 Zn
• Calculated formula: C44 H36 N4 O5 Zn
• Title of publication: Synthesis of compact water-soluble bioconjugatable porphyrins for life sciences applications
• Authors of publication: Ngo, Quang-Thien; Cao, Phuong-Lien Doan; Wu, Zhiyuan; Siwawannapong, Kittipan; Ntim, Thomas; Nalaoh, Phattananawee; Lindsey, Jonathan S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 36
• Pages of publication: 15584 - 15611
• a: 9.8497 ± 0.0008 Å
• b: 32.182 ± 0.003 Å
• c: 12.7803 ± 0.0009 Å
• α: 90°
• β: 90.476 ± 0.003°
• γ: 90°
• Cell volume: 4051 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No