Crystallography Open Database

Information card for entry 4518489

Preview

Coordinates	4518489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 N4 O2
Calculated formula	C22 H18 N4 O2
SMILES	O=C(N/N=C/c1ccccc1)c1ccc(cc1)C(=O)N/N=C/c1ccccc1
Title of publication	Microcrystal Electron Diffraction Elucidates Water-Specific Polymorphism-Induced Emission Enhancement of Bis-arylacylhydrazone.
Authors of publication	Cho, Hye Jin; Kim, Kyung-Su; Kim, Hyunwoo; Kim, Taewoo; Malyutin, Andrey G.; Rees, Douglas C.; Yoo, Byung-Kuk; Song, Changsik
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	6
Pages of publication	7546 - 7555
a	21.42 ± 0.004 Å
b	5.19 ± 0.001 Å
c	16.74 ± 0.003 Å
α	90°
β	106.8 ± 0.03°
γ	90°
Cell volume	1781.6 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.1575
Residual factor for significantly intense reflections	0.1492
Weighted residual factors for significantly intense reflections	0.3564
Weighted residual factors for all reflections included in the refinement	0.3641
Goodness-of-fit parameter for all reflections included in the refinement	1.379
Diffraction radiation wavelength	0.02508 Å
Diffraction radiation type	200keVelectrons
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262438 (current)	2021-03-04	cif/ Updating files of 4518489, 4518490 Original log message: Adding full bibliography for 4518489--4518490.cif.	4518489.cif
261827	2021-02-07	cif/ Adding structures of 4518489 via cif-deposit CGI script.	4518489.cif