Crystallography Open Database

Information card for entry 7156754

Preview

Coordinates	7156754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H30 F N O5
Calculated formula	C42 H30 F N O5
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	10.252 ± 0.003 Å
b	11.75 ± 0.003 Å
c	15.681 ± 0.004 Å
α	99.354 ± 0.008°
β	103.382 ± 0.008°
γ	103.029 ± 0.008°
Cell volume	1743.8 ± 0.8 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	0.1367
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1748
Weighted residual factors for all reflections included in the refinement	0.2112
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	7156754.cif
214399	2019-03-28	cif/ Adding structures of 7156751, 7156752, 7156753, 7156754, 7156755, 7156756 via cif-deposit CGI script.	7156754.cif