Crystallography Open Database

Information card for entry 7157492

Preview

Coordinates	7157492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H17 Cl O4
Calculated formula	C25 H17 Cl O4
Title of publication	Enantioselective synthesis of indanone spiro-isochromanone derivatives via a dinuclear zinc-catalyzed Michael/transesterification tandem reaction.
Authors of publication	Yang, Xiao-Chao; Xu, Meng; Wang, Jin-Bao; Liu, Meng-Meng; Mathey, François; Hua, Yuan-Zhao; Wang, Min-Can
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	20
Pages of publication	3917 - 3926
a	17.9619 ± 0.0004 Å
b	9.8922 ± 0.0002 Å
c	22.6104 ± 0.0005 Å
α	90°
β	96.832 ± 0.002°
γ	90°
Cell volume	3988.95 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
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
252914 (current)	2020-06-05	cif/ Updating files of 7157492 Original log message: Adding full bibliography for 7157492.cif.	7157492.cif
251532	2020-05-05	cif/ Adding structures of 7157492 via cif-deposit CGI script.	7157492.cif