Information card for entry 8104734

Structure parameters

• Formula: C20 H19 N O2
• Calculated formula: C20 H19 N O2
• Title of publication: The crystal structure of 2-[(R)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C19H20NO2
• Authors of publication: Geng, Yi-Ding; Gong, Yi-Xia; Zhou, Shu-Jing; Wang, Gui-Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 4
• Pages of publication: 857 - 859
• a: 6.6936 ± 0.0004 Å
• b: 8.8892 ± 0.0006 Å
• c: 13.2577 ± 0.0008 Å
• α: 90°
• β: 97.74 ± 0.001°
• γ: 90°
• Cell volume: 781.66 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No