Crystallography Open Database

Information card for entry 7242037

7242036 << 7242037 >> 7242038

Preview

Coordinates	7242037.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4'-(3,5-difluorophenyl)-2-phenyl-4'H-spiro[indole-3,5'-isoxazole]
Formula	C22 H14 F2 N2 O
Calculated formula	C22 H14 F2 N2 O
Title of publication	Preparation of spiro[indole-3,5′-isoxazoles] via Grignard conjugate addition/spirocyclization sequence
Authors of publication	Aksenov, Alexander V.; Aksenov, Dmitrii A.; Aksenov, Nicolai A.; Skomorokhov, Anton A.; Aleksandrova, Elena V.; Rubin, Michael
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	3
Pages of publication	1783 - 1793
a	20.4243 ± 0.0004 Å
b	15.3838 ± 0.0002 Å
c	11.4158 ± 0.0002 Å
α	90°
β	103.358 ± 0.0018°
γ	90°
Cell volume	3489.85 ± 0.11 Å³
Cell temperature	104 ± 6 K
Ambient diffraction temperature	104 ± 6 K
Number of distinct elements	5
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	0.0507
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260860 (current)	2021-01-08	cif/ Adding structures of 7242037 via cif-deposit CGI script.	7242037.cif