Crystallography Open Database

Information card for entry 7156752

Preview

Coordinates	7156752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H30 Cl N O6
Calculated formula	C39 H30 Cl 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	8.851 ± 0.003 Å
b	9.689 ± 0.004 Å
c	19.549 ± 0.007 Å
α	95.91 ± 0.012°
β	96.198 ± 0.01°
γ	100.149 ± 0.011°
Cell volume	1627.8 ± 1.1 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	0.0686
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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.	7156752.cif
214399	2019-03-28	cif/ Adding structures of 7156751, 7156752, 7156753, 7156754, 7156755, 7156756 via cif-deposit CGI script.	7156752.cif