Crystallography Open Database

Information card for entry 7156152

Preview

Coordinates	7156152.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Dimethyl 2-[5-chloro-2-(methoxymethoxy)phenyl]cyclopropane-1,1-dicarboxylate
Formula	C15 H17 Cl O6
Calculated formula	C15 H17 Cl O6
Title of publication	Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.
Authors of publication	Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	21
Pages of publication	3897 - 3909
a	8.835 ± 0.002 Å
b	6.916 ± 0.002 Å
c	24.341 ± 0.01 Å
α	90°
β	90.48 ± 0.03°
γ	90°
Cell volume	1487.3 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230834 (current)	2019-11-17	cif/ Updating files of 7156149, 7156150, 7156151, 7156152, 7156153, 7156154 Original log message: Adding full bibliography for 7156149--7156154.cif.	7156152.cif
206942	2018-03-14	cif/ Adding structures of 7156149, 7156150, 7156151, 7156152, 7156153, 7156154 via cif-deposit CGI script.	7156152.cif