Crystallography Open Database

Information card for entry 4515386

Preview

Coordinates	4515386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H31 N O2
Calculated formula	C39 H31 N O2
SMILES	c1cccc2C(=O)C(=Cc3ccc4c5ccc(cc5C(CC)(CC)c4c3)N(c3ccccc3)c3ccccc3)C(=O)c12
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	8.4123 ± 0.0005 Å
b	10.5424 ± 0.0005 Å
c	17.0126 ± 0.0007 Å
α	77.818 ± 0.004°
β	85.519 ± 0.004°
γ	72.94 ± 0.005°
Cell volume	1409.7 ± 0.13 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0537
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
225539 (current)	2019-11-10	cif/ Adding structures of 4515386 via cif-deposit CGI script.	4515386.cif