Information card for entry 7152933

Structure parameters

• Formula: C43 H28 Cl N5
• Calculated formula: C42.9985 H27.998 Cl1.0005 N5.0005
• Title of publication: Formation, structure, and reactivity of meso-tetraaryl-chlorolactones, -porpholactams, and -chlorolactams, porphyrin and chlorin analogues incorporating oxazolone or imidazolone moieties.
• Authors of publication: Akhigbe, Joshua; Haskoor, John; Krause, Jeanette A.; Zeller, Matthias; Brückner, Christian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 22
• Pages of publication: 3616 - 3628
• a: 14.44 ± 0.004 Å
• b: 16.901 ± 0.005 Å
• c: 14.82 ± 0.004 Å
• α: 90°
• β: 117.629 ± 0.004°
• γ: 90°
• Cell volume: 3204.4 ± 1.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1966
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No