Information card for entry 4027344

Structure parameters

• Formula: C43 H28 N4 O2
• Calculated formula: C42.996 H28 N4 O1.992
• 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: 6.3491 ± 0.0004 Å
• b: 10.393 ± 0.0006 Å
• c: 12.2632 ± 0.0007 Å
• α: 94.175 ± 0.001°
• β: 100.446 ± 0.001°
• γ: 100.344 ± 0.001°
• Cell volume: 778.2 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No