Crystallography Open Database

Information card for entry 7155235

Preview

Coordinates	7155235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H49 N3 O3 P
Calculated formula	C33 H49 N3 O3 P
Title of publication	Asymmetric aza-Morita-Baylis-Hillman reactions of chiral N-phosphonyl imines with acrylates via GAP chemistry/technology.
Authors of publication	Yang, Bing; Ji, Xiaozhou; Xue, Yunsheng; Zhang, Haowei; Shen, Minxing; Jiang, Bo; Li, Guigen
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	25
Pages of publication	6024 - 6035
a	13.9411 ± 0.0012 Å
b	17.726 ± 0.001 Å
c	14.8278 ± 0.001 Å
α	90°
β	109.535 ± 0.009°
γ	90°
Cell volume	3453.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1071
Residual factor for significantly intense reflections	0.0858
Weighted residual factors for significantly intense reflections	0.2281
Weighted residual factors for all reflections included in the refinement	0.2522
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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