Information card for entry 7152427

Structure parameters

• Formula: C68 H82 N2 S2 Si4
• Calculated formula: C68 H82 N2 S2 Si4
• Title of publication: Peripherally ethynylated carbazole-based core-modified porphyrins.
• Authors of publication: Maeda, Chihiro; Yoshioka, Naoki
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 27
• Pages of publication: 5182 - 5185
• a: 19.3107 ± 0.0004 Å
• b: 17.019 ± 0.0004 Å
• c: 23.1391 ± 0.0004 Å
• α: 90°
• β: 93.5198 ± 0.001°
• γ: 90°
• Cell volume: 7590.3 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.2981
• Weighted residual factors for all reflections included in the refinement: 0.3224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No