Crystallography Open Database

Information card for entry 4514564

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Coordinates	4514564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 N2
Calculated formula	C17 H14 N2
SMILES	c1nccc2c(c3[nH]c4ccccc4c3c(c12)C)C
Title of publication	Polymorphic Transformation of Drugs Induced by Glycopolymeric Vesicles Designed for Anticancer Therapy Probed by Solid-State NMR Spectroscopy.
Authors of publication	Procházková, Eliška; Cao, Cheng; Rawal, Aditya; Dračínský, Martin; Bhattacharyya, Saroj; Císařová, Ivana; Hook, James M.; Stenzel, Martina H.
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	31
Pages of publication	28278 - 28288
a	18.7736 ± 0.0014 Å
b	3.963 ± 0.0003 Å
c	16.317 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1213.98 ± 0.15 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	1.138
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219749 (current)	2019-10-28	cif/ Adding structures of 4514564 via cif-deposit CGI script.	4514564.cif