Crystallography Open Database

Information card for entry 7249390

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Coordinates	7249390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H15 N O2
Calculated formula	C14 H15 N O2
Title of publication	Generation and Capture of Naphthoquinonynes: A New Frontier in the Development of Trypanocidal Quinones via Aryne Chemistry
Authors of publication	Figueroa, Laura P. R.; Carvalho, Renato; Almeida, Renata G.; Paz, Esther R. S.; Diogo, Emilay; Araujo, Maria Helena; de souza Borges, Warley; dos Santos Ramos, Victor Feliciano; Menna-Barreto, Rubem F. S.; Wood, James M.; Bower, John; da Silva Júnior, Eufrânio N.
Journal of publication	RSC Medicinal Chemistry
Year of publication	2024
a	15.4613 ± 0.0003 Å
b	7.7422 ± 0.0002 Å
c	20.6904 ± 0.0004 Å
α	90°
β	102.765 ± 0.002°
γ	90°
Cell volume	2415.52 ± 0.09 Å³
Cell temperature	278 ± 1 K
Ambient diffraction temperature	278.15 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294912 (current)	2024-09-27	cif/ Adding structures of 7249390, 7249391, 7249392 via cif-deposit CGI script.	7249390.cif