Crystallography Open Database

Information card for entry 7238714

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Coordinates	7238714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26 Br N3 O5
Calculated formula	C25 H26 Br N3 O5
Title of publication	Synthesis of carbohydrate-based naphthoquinones and their substituted phenylhydrazono derivatives as anticancer agents
Authors of publication	Campos, Vinicius R.; Santos, Evelyne A. dos; Ferreira, Vitor F.; Montenegro, Raquel C.; de Souza, Maria C. B. V.; Costa-Lotufo, Letícia V.; de Moraes, Manoel O.; Regufe, Anna K. P.; Jordão, Alessandro K.; Pinto, Angelo C.; Resende, Jackson A. L. C.; Cunha, Anna C.
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	30
Pages of publication	11438
a	5.864 ± 0.0002 Å
b	15.2666 ± 0.0018 Å
c	26.181 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2343.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0568
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation probe	x-ray
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
244312 (current)	2019-11-28	cif/ Adding structures of 7238714, 7238715 via cif-deposit CGI script.	7238714.cif