Information card for entry 1501986

Structure parameters

• Formula: C44 H26 N6 O
• Calculated formula: C44 H26 N6 O
• Title of publication: Quinoline-annulated porphyrins.
• Authors of publication: Akhigbe, Joshua; Zeller, Matthias; Brückner, Christian
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1322 - 1325
• a: 25.595 ± 0.006 Å
• b: 9.572 ± 0.002 Å
• c: 25.369 ± 0.006 Å
• α: 90°
• β: 97.71 ± 0.004°
• γ: 90°
• Cell volume: 6159 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1531
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No