Information card for entry 7103187

Structure parameters

• Formula: C32 H35 Br3 N4
• Calculated formula: C32 H35 Br3 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: 5.3757 ± 0.0005 Å
• b: 10.3624 ± 0.0009 Å
• c: 13.4652 ± 0.0012 Å
• α: 96.076 ± 0.002°
• β: 91.373 ± 0.002°
• γ: 94.714 ± 0.002°
• Cell volume: 742.94 ± 0.12 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: 0.1176
• Residual factor for significantly intense reflections: 0.1091
• Weighted residual factors for significantly intense reflections: 0.2413
• Weighted residual factors for all reflections included in the refinement: 0.2459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No