Information card for entry 1508668

Structure parameters

• Formula: C21 H19 N O3
• Calculated formula: C21 H19 N O3
• SMILES: N(=O)(=C1c2c(c3c1cccc3)cccc2)C1=CCC2(OCCO2)CC1
• Title of publication: Preparation and rearrangement of N-vinyl nitrones: synthesis of spiroisoxazolines and fluorene-tethered isoxazoles.
• Authors of publication: Mo, Dong-Liang; Wink, Donald A.; Anderson, Laura L.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 5180 - 5183
• a: 12.1767 ± 0.0007 Å
• b: 13.3547 ± 0.0007 Å
• c: 10.367 ± 0.0006 Å
• α: 90°
• β: 98.454 ± 0.001°
• γ: 90°
• Cell volume: 1667.52 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No