Information card for entry 7216902

Structure parameters

• Chemical name: cis-7,7-ethylenedioxospiro[4,5]decan-3-en-1-yl p-nitrobenzoate
• Formula: C19 H21 N O6
• Calculated formula: C19 H21 N O6
• Title of publication: Synthesis of α-hydroxy and α-oxospiranes through ruthenium(II)-catalyzed ring-closing metathesis
• Authors of publication: Aburel, Pompiliu S.; Rømming, Christian; Ma, Kuangbiao; Undheim, Kjell
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 12
• Pages of publication: 1458
• a: 18.8106 ± 0.0012 Å
• b: 6.9928 ± 0.0005 Å
• c: 13.7165 ± 0.0009 Å
• α: 90°
• β: 109.118 ± 0.003°
• γ: 90°
• Cell volume: 1704.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0643
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No