Information card for entry 1558144

Structure parameters

• Common name: DrSaad_PhMono_15_04_17
• Formula: C23 H17 Cl N2 O3
• Calculated formula: C23 H17 Cl N2 O3
• SMILES: Clc1c(Oc2c(COCC#C)cc(cc2COCC#C)C)cc(c(C#N)c1)C#N
• Title of publication: Dually directional glycosylated phthalocyanines as extracellular red-emitting fluorescent probes.
• Authors of publication: Husain, Ali; Ganesan, Asaithampi; Machacek, Miloslav; Cerveny, Lukas; Kubat, Pavel; Ghazal, Basma; Zimcik, Petr; Makhseed, Saad
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 28
• Pages of publication: 9605 - 9617
• a: 14.9291 ± 0.0005 Å
• b: 10.5173 ± 0.0003 Å
• c: 14.418 ± 0.0004 Å
• α: 90°
• β: 111.081 ± 0.001°
• γ: 90°
• Cell volume: 2112.31 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0562
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No