Crystallography Open Database

Information card for entry 7122457

Preview

Coordinates	7122457.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H74 F12 N8 O13 S4 Zn
Calculated formula	C50 H74 F12 N8 O13 S4 Zn
Title of publication	Catalytic enantioselective ene-type reactions of vinylogous hydrazone: construction of α-methylene-γ-butyrolactone derivatives.
Authors of publication	Zhang, Hang; Yao, Qian; Cao, Weidi; Ge, Shulin; Xu, Jinxiu; Liu, Xiaohua; Feng, Xiaoming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	88
Pages of publication	12511 - 12514
a	20.73104 ± 0.00017 Å
b	15.56761 ± 0.00012 Å
c	24.0468 ± 0.0002 Å
α	90°
β	103.086 ± 0.0009°
γ	90°
Cell volume	7559.15 ± 0.11 Å³
Cell temperature	140.2 ± 0.2 K
Ambient diffraction temperature	140.2 ± 0.2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228198 (current)	2019-11-17	cif/ Updating files of 7122454, 7122455, 7122456, 7122457 Original log message: Adding full bibliography for 7122454--7122457.cif.	7122457.cif
211463	2018-10-14	cif/ Adding structures of 7122454, 7122455, 7122456, 7122457 via cif-deposit CGI script.	7122457.cif