Crystallography Open Database

Information card for entry 7156753

Preview

Coordinates	7156753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H26 Cl3 N O6
Calculated formula	C42 H26 Cl3 N O6
Title of publication	Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.
Authors of publication	Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	16
Pages of publication	3978 - 3983
a	9.861 ± 0.008 Å
b	10.277 ± 0.008 Å
c	21.278 ± 0.015 Å
α	76.246 ± 0.02°
β	86.55 ± 0.02°
γ	85.28 ± 0.02°
Cell volume	2086 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.3149
Residual factor for significantly intense reflections	0.1476
Weighted residual factors for significantly intense reflections	0.3565
Weighted residual factors for all reflections included in the refinement	0.4562
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
225171 (current)	2019-11-08	cif/ Updating files of 7156751, 7156752, 7156753, 7156754, 7156755, 7156756 Original log message: Adding full bibliography for 7156751--7156756.cif.	7156753.cif
214399	2019-03-28	cif/ Adding structures of 7156751, 7156752, 7156753, 7156754, 7156755, 7156756 via cif-deposit CGI script.	7156753.cif