Crystallography Open Database

Information card for entry 1505137

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Structure parameters

Formula	C24 H31 N O3
Calculated formula	C24 H31 N O3
SMILES	O(N1C(CCCC1(C)C)(C)C)C(c1ccccc1)COC(=O)c1ccccc1
Title of publication	Synthesis and Evaluation of Sterically Hindered 1,1-Diadamantyl Nitroxide as a Low-Temperature Mediator for the Stable Free Radical Polymerization Process
Authors of publication	Debuigne, Antoine; Chan-Seng, Delphine; Li, Lichun; Hamer, Gordon K.; Georges, Michael K.
Journal of publication	Macromolecules
Year of publication	2007
Journal volume	40
Journal issue	17
Pages of publication	6224
a	6.3039 ± 0.0002 Å
b	15.2176 ± 0.0004 Å
c	22.4312 ± 0.0005 Å
α	80.19 ± 0.0016°
β	85.752 ± 0.0015°
γ	84.344 ± 0.0015°
Cell volume	2106.44 ± 0.1 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 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	0.0881
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1905
Weighted residual factors for all reflections included in the refinement	0.2027
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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