Information card for entry 4027346

Structure parameters

• Formula: C43 H30 N4 O
• Calculated formula: C42.998 H29.996 N4 O0.998
• 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: 6.3538 ± 0.0016 Å
• b: 10.375 ± 0.003 Å
• c: 12.253 ± 0.003 Å
• α: 94.819 ± 0.004°
• β: 99.495 ± 0.004°
• γ: 101.047 ± 0.004°
• Cell volume: 776.3 ± 0.4 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: 0.0593
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No