Crystallography Open Database

Information card for entry 7134331

Preview

Coordinates	7134331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H12 F3 N O2
Calculated formula	C19 H12 F3 N O2
Title of publication	Domino 1,3-dipolar cycloaddition/ring-opening/ring-cleavage: synthesis of trisubstituted pyrrole and chiral dihydropyrrole-3-carbaldehydes
Authors of publication	Pandidurai, Solai; Chinababu, Maddala; Sekar, Govindasamy
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	31
Pages of publication	5806 - 5809
a	7.4749 ± 0.0004 Å
b	9.2492 ± 0.0005 Å
c	11.6066 ± 0.0008 Å
α	90°
β	94.679 ± 0.003°
γ	90°
Cell volume	799.77 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0359
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
300496 (current)	2025-07-06	cif/ Updating files of 7134331 Original log message: Adding full bibliography for 7134331.cif.	7134331.cif
298467	2025-03-16	cif/ Adding structures of 7134331 via cif-deposit CGI script.	7134331.cif