Information card for entry 7220975

Structure parameters

• Formula: C20 H8 Br4 N2 O2
• Calculated formula: C20 H8 Br4 N2 O2
• SMILES: Brc1c(Oc2cc(c(cc2Oc2c(Br)cccc2Br)C#N)C#N)c(Br)ccc1
• Title of publication: Photophysical and theoretical studies of peripherally halogenated octaphenoxyphthalocyanines
• Authors of publication: Makhseed, Saad; Ghazal, Basma; Abdelmoniem, Amr Mohamed; Novakova, Veronika; Zimcik, Petr
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.9517 ± 0.0007 Å
• b: 12.7781 ± 0.0007 Å
• c: 13.5193 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2064.7 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No