Information card for entry 4027348

Structure parameters

• Formula: C36 H23 N5 O2 Zn
• Calculated formula: C36 H23 N5 O2 Zn
• Title of publication: meso-Arylporpholactones and their Reduction Products
• Authors of publication: Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 6480 - 6494
• a: 10.4629 ± 0.0019 Å
• b: 13.445 ± 0.002 Å
• c: 20.798 ± 0.004 Å
• α: 91.532 ± 0.003°
• β: 91.461 ± 0.003°
• γ: 108.916 ± 0.003°
• Cell volume: 2764.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No