Crystallography Open Database

Information card for entry 4515387

Preview

Coordinates	4515387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H27 N O4 S
Calculated formula	C32 H27 N O4 S
SMILES	S(=O)(=O)(c1ccccc1)C1=C(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)C(OC1=O)(C)C
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	18.3481 ± 0.0017 Å
b	8.1691 ± 0.0008 Å
c	18.0409 ± 0.0017 Å
α	90°
β	103.687 ± 0.009°
γ	90°
Cell volume	2627.3 ± 0.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for all reflections	0.1049
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	0.9842
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
225540 (current)	2019-11-10	cif/ Adding structures of 4515387 via cif-deposit CGI script.	4515387.cif