Information card for entry 7151798

Structure parameters

• Formula: C9 H19 N O
• Calculated formula: C9 H19 N O
• SMILES: C1(CCCC(C)(C)N1O)(C)C
• Title of publication: Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres.
• Authors of publication: Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 3672 - 3680
• a: 18.7761 ± 0.0016 Å
• b: 18.7761 ± 0.0016 Å
• c: 43.329 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13229 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No