Crystallography Open Database

Information card for entry 4026183

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Coordinates	4026183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 N2 O5 S
Calculated formula	C30 H26 N2 O5 S
Title of publication	Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction
Authors of publication	Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	2888 - 2891
a	9.7543 ± 0.0003 Å
b	12.0791 ± 0.0003 Å
c	13.3845 ± 0.0004 Å
α	64.274 ± 0.002°
β	72.292 ± 0.001°
γ	69.47 ± 0.001°
Cell volume	1308.71 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1141
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1864
Weighted residual factors for all reflections included in the refinement	0.2208
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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