Crystallography Open Database

Information card for entry 4025774

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Coordinates	4025774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 N O4 S
Calculated formula	C27 H29 N O4 S
Title of publication	Stereoselective Synthesis of 2,4,5-Trisubstituted Piperidines via Radical Cyclization
Authors of publication	Maria-Eleni Ragoussi; Stephen M. Walker; Andrea Piccanello; Benson M. Kariuki; Peter N. Horton; Neil Spencer; John S. Snaith
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	7347 - 7357
a	11.2986 ± 0.0003 Å
b	14.5663 ± 0.0004 Å
c	15.2241 ± 0.0004 Å
α	100.376 ± 0.002°
β	91.986 ± 0.001°
γ	99.81 ± 0.002°
Cell volume	2423.03 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0904
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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