Information card for entry 7103186

Structure parameters

• Common name: H2(Br2TPrPc)
• Formula: C32 H36 Br2 N4
• Calculated formula: C32 H36 Br2 N4
• SMILES: c12c(c(c(=c3cc(c([nH]3)=CC=c3c(c(c(c4cc(c([nH]4)C=C2)CCC)n3)Br)CCC)CCC)n1)Br)CCC
• Title of publication: Photophysical and photosensitizing properties of brominated porphycenes.
• Authors of publication: Shimakoshi, Hisashi; Baba, Tatsushi; Iseki, Yusuke; Aritome, Isao; Endo, Ayataka; Adachi, Chihaya; Hisaeda, Yoshio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 25
• Pages of publication: 2882 - 2884
• a: 5.2634 ± 0.0003 Å
• b: 10.5871 ± 0.0006 Å
• c: 13.0516 ± 0.0008 Å
• α: 72.809 ± 0.001°
• β: 83.99 ± 0.001°
• γ: 81.208 ± 0.001°
• Cell volume: 685.27 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No