Information card for entry 4116653

Structure parameters

• Chemical name: O-(9-nitro-9-fluorenyl)fluorenone oxime
• Formula: C26 H16 N2 O3
• Calculated formula: C26 H16 N2 O3
• Title of publication: Models of Nitric Oxide Synthase: Iron(III) Porphyrin-Catalyzed Oxidation of Fluorenone Oxime to Nitric Oxide and Fluorenone
• Authors of publication: Wang, Charles C.-Y.; M. Ho, Douglas; Groves, John T.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Journal issue: 51
• Pages of publication: 12094 - 12103
• a: 9.8776 ± 0.0006 Å
• b: 11.9206 ± 0.0006 Å
• c: 17.4262 ± 0.0012 Å
• α: 90°
• β: 101.55 ± 0.003°
• γ: 90°
• Cell volume: 2010.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0772
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections: 0.1529
• Weighted residual factors for significantly intense reflections: 0.1407
• Goodness-of-fit parameter for all reflections: 1.092
• Goodness-of-fit parameter for significantly intense reflections: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No