Information card for entry 7110046

Structure parameters

• Formula: C38 H32 N10 O2
• Calculated formula: C38 H32 N10 O2
• SMILES: O(c1cc(c(cc1Oc1c(cc(cc1Cn1ccnc1)C)Cn1ccnc1)C#N)C#N)c1c(cc(cc1Cn1ccnc1)C)Cn1ccnc1
• Title of publication: Water-soluble non-aggregating zinc phthalocyanine and in vitro studies for photodynamic therapy
• Authors of publication: Saad Makhseed; Miloslav Machacek; Waleed Alfadly; Ahmad Tuhl; Mickey Vinodh; Tomas Simunek; Veronika Novakova; Pavel Kubat; Emil Rudolf; Petr Zimcik
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11149
• a: 10.415 ± 0.004 Å
• b: 13.601 ± 0.004 Å
• c: 15.135 ± 0.005 Å
• α: 100.335 ± 0.007°
• β: 108.711 ± 0.009°
• γ: 106.981 ± 0.008°
• Cell volume: 1851.7 ± 1.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.4437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.56
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No