Crystallography Open Database

Information card for entry 4515388

Preview

Coordinates	4515388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 N2 O2
Calculated formula	C23 H20 N2 O2
SMILES	O1C(=O)C(=C(C1(C)C)/C=C/c1cc2c(n(c3c2cccc3)CC)cc1)C#N
Title of publication	General and Scalable Approach to Bright, Stable, and Functional AIE Fluorogen Colloidal Nanocrystals for in Vivo Imaging.
Authors of publication	Yan, Xibo; Remond, Maxime; Zheng, Zheng; Hoibian, Elsa; Soulage, Christophe; Chambert, Stéphane; Andraud, Chantal; Van der Sanden, Boudewijn; Ganachaud, François; Bretonnière, Yann; Bernard, Julien
Journal of publication	ACS applied materials & interfaces
Year of publication	2018
Journal volume	10
Journal issue	30
Pages of publication	25154 - 25165
a	7.086 ± 0.001 Å
b	8.811 ± 0.001 Å
c	15.64 ± 0.001 Å
α	89.596 ± 0.008°
β	84.32 ± 0.009°
γ	68.33 ± 0.01°
Cell volume	902.55 ± 0.19 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0856
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for all reflections	0.1585
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1585
Goodness-of-fit parameter for all reflections included in the refinement	1.0036
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225541 (current)	2019-11-10	cif/ Adding structures of 4515388 via cif-deposit CGI script.	4515388.cif