Crystallography Open Database

Information card for entry 1550728

Preview

Coordinates	1550728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 N2 O2 S
Calculated formula	C36 H24 N2 O2 S
SMILES	S(=O)(=O)(c1c(n2c3ccccc3c3ccccc23)cccc1)c1ccccc1n1c2ccccc2c2ccccc12
Title of publication	Intramolecular electronic coupling for persistent room-temperature luminescence for smartphone based time-gated fingerprint detection
Authors of publication	Tian, Di; Zhu, Zece; Xu, Li; Cong, Hengjiang; Zhu, Jintao
Journal of publication	Materials Horizons
Year of publication	2019
Journal volume	6
Journal issue	6
Pages of publication	1215
a	15.1171 ± 0.0003 Å
b	10.6355 ± 0.0003 Å
c	39.0096 ± 0.0009 Å
α	90°
β	94.405 ± 0.002°
γ	90°
Cell volume	6253.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1469
Residual factor for significantly intense reflections	0.1248
Weighted residual factors for significantly intense reflections	0.3187
Weighted residual factors for all reflections included in the refinement	0.3354
Goodness-of-fit parameter for all reflections included in the refinement	1.273
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
225364 (current)	2019-11-08	cif/ Updating files of 1550727, 1550728 Original log message: Adding full bibliography for 1550727--1550728.cif.	1550728.cif
214062	2019-03-09	cif/ Adding structures of 1550727, 1550728 via cif-deposit CGI script.	1550728.cif