Crystallography Open Database

Information card for entry 7249392

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Coordinates	7249392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 N O2
Calculated formula	C16 H19 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	8.1231 ± 0.0001 Å
b	9.1098 ± 0.0002 Å
c	19.3288 ± 0.0003 Å
α	90°
β	94.209 ± 0.002°
γ	90°
Cell volume	1426.47 ± 0.04 Å³
Cell temperature	266.5 ± 0.3 K
Ambient diffraction temperature	266.15 K
Number of distinct elements	4
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	0.052
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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.	7249392.cif