Crystallography Open Database

Information card for entry 7157494

Preview

Coordinates	7157494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H30 Cl N3 O9
Calculated formula	C33 H30 Cl N3 O9
Title of publication	Dienaminodioate based multicomponent reactions with post-benzylic oxidative transformations mediated by DDQ.
Authors of publication	Ravindran, Jaice; Yadhukrishnan, Velickakathu O.; Asha, Reghuvaran S.; Lankalapalli, Ravi S.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	20
Pages of publication	3927 - 3937
a	9.3935 ± 0.0006 Å
b	10.3136 ± 0.0007 Å
c	17.8351 ± 0.0012 Å
α	102.592 ± 0.003°
β	95.138 ± 0.004°
γ	101.978 ± 0.003°
Cell volume	1633.08 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1504
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
252916 (current)	2020-06-05	cif/ Updating files of 7157493, 7157494 Original log message: Adding full bibliography for 7157493--7157494.cif.	7157494.cif
251841	2020-05-07	cif/ Adding structures of 7157493, 7157494 via cif-deposit CGI script.	7157494.cif