Crystallography Open Database

Information card for entry 4518490

Preview

Coordinates	4518490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N4 O4
Calculated formula	C22 H22 N4 O4
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	12.51 ± 0.003 Å
b	4.64 ± 0.0009 Å
c	33.91 ± 0.007 Å
α	90°
β	96.5 ± 0.03°
γ	90°
Cell volume	1955.7 ± 0.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2178
Residual factor for significantly intense reflections	0.2128
Weighted residual factors for significantly intense reflections	0.5027
Weighted residual factors for all reflections included in the refinement	0.5051
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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.	4518490.cif
261828	2021-02-07	cif/ Adding structures of 4518490 via cif-deposit CGI script.	4518490.cif