Crystallography Open Database

Information card for entry 7249391

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Coordinates	7249391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H15 N O2
Calculated formula	C22 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	35.2203 ± 0.0012 Å
b	20.9152 ± 0.0007 Å
c	9.2515 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6815 ± 0.4 Å³
Cell temperature	271 ± 4 K
Ambient diffraction temperature	271.15 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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.	7249391.cif