Information card for entry 2012943

Structure parameters

• Common name: H2(Br4TPrPc)
• Chemical name: 3,6,13,16-tetrabromo-2,7,12,17-tetrapropylporphycene
• Formula: C32 H34 Br4 N4
• Calculated formula: C32 H34 Br4 N4
• Title of publication: 3,6,13,16-Tetrabromo-2,7,12,17-tetrapropylporphycene
• Authors of publication: Aritome, Isao; Shimakoshi, Hisashi; Hisaeda, Yoshio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: o563 - o564
• a: 13.672 ± 0.0008 Å
• b: 8.0201 ± 0.0005 Å
• c: 14.4687 ± 0.0009 Å
• α: 90°
• β: 106.101 ± 0.001°
• γ: 90°
• Cell volume: 1524.27 ± 0.16 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes