Crystallography Open Database

Information card for entry 7239179

Preview

Coordinates	7239179.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-(1-(4-Fluorophenyl)-2-methyl-4-phenyl-1H-pyrrol-3-yl) ethanone
Formula	C19 H16 F N O
Calculated formula	C19 H16 F N O
Title of publication	Montmorillonite clay catalyzed synthesis of functionalized pyrroles through domino four-component coupling of amines, aldehydes, 1,3-dicarbonyl compounds and nitroalkanes
Authors of publication	Bharate, Jaideep B.; Sharma, Rajni; Aravinda, Subrayashastry; Gupta, Vivek K.; Singh, Baldev; Bharate, Sandip B.; Vishwakarma, Ram A.
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	44
Pages of publication	21736
a	9.798 ± 0.0013 Å
b	7.8015 ± 0.0009 Å
c	20.558 ± 0.002 Å
α	90°
β	98.077 ± 0.013°
γ	90°
Cell volume	1555.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1052
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1476
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
244589 (current)	2019-11-28	cif/ Adding structures of 7239179 via cif-deposit CGI script.	7239179.cif