Information card for entry 7103185

Structure parameters

• Common name: 3-bromo-2,7,12,17-tetra-n-propylporphycene
• Formula: C32 H37 Br N4
• Calculated formula: C32 H37 Br N4
• 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: 5.0446 ± 0.0006 Å
• b: 11.513 ± 0.0014 Å
• c: 11.8712 ± 0.0014 Å
• α: 101.158 ± 0.003°
• β: 93.095 ± 0.003°
• γ: 93.654 ± 0.002°
• Cell volume: 673.5 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No