Crystallography Open Database

Information card for entry 7125791

Preview

Coordinates	7125791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 N2 O4
Calculated formula	C20 H16 N2 O4
Title of publication	An asymmetric hydrocyanation/Michael reaction of α-diazoacetates via Cu(i)/chiral guanidine catalysis.
Authors of publication	Ruan, Sai; Zhong, Xia; Chen, Quangang; Feng, Xiaoming; Liu, Xiaohua
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	14
Pages of publication	2155 - 2158
a	9.9589 ± 0.0002 Å
b	10.3374 ± 0.0002 Å
c	17.3428 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1785.43 ± 0.06 Å³
Cell temperature	241 ± 2 K
Ambient diffraction temperature	241 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0956
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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