Crystallography Open Database

Information card for entry 1507556

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Structure parameters

Formula	C26 H42 N2 O3
Calculated formula	C26 H42 N2 O3
SMILES	O=C(ON1C(CCCC1(C)C)(C)C)C(ON1C(CCCC1(C)C)(C)C)c1ccccc1
Title of publication	Radical Additions of TEMPO to Ketenes: Correlation of Free Radical and Nucleophilic Reactivity
Authors of publication	Allen, Annette D.; Cheng, Bernice; Fenwick, Michael H.; Huang, Wen-wei; Missiha, Sharif; Tahmassebi, Daryoush; Tidwell, Thomas T.
Journal of publication	Organic Letters
Year of publication	1999
Journal volume	1
Journal issue	5
Pages of publication	693
a	7.4729 ± 0.0004 Å
b	12.4337 ± 0.0007 Å
c	14.4929 ± 0.0009 Å
α	79.296 ± 0.003°
β	80.363 ± 0.003°
γ	75.546 ± 0.003°
Cell volume	1270.9 ± 0.13 Å³
Cell temperature	125 ± 0.1 K
Ambient diffraction temperature	125 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1231
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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