Crystallography Open Database

Information card for entry 3000472

Preview

Coordinates	3000472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 N O3
Calculated formula	C19 H15 N O3
Title of publication	Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction
Authors of publication	Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit
Journal of publication	Crystal Growth & Design
Year of publication	2024
Journal volume	24
Pages of publication	7222 - 7234
a	3.912 Å
b	13.011 Å
c	15.416 Å
α	79.38°
β	88.39°
γ	81.41°
Cell volume	762.568 Å³
Cell temperature	79 K
Ambient diffraction temperature	79 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	0.201
Residual factor for significantly intense reflections	0.1411
Weighted residual factors for significantly intense reflections	0.3735
Goodness-of-fit parameter for all reflections included in the refinement	1.19
Diffraction radiation wavelength	0.02508 Å
Diffraction radiation type	electrons
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294769 (current)	2024-09-17	cif/ Updating files of 3000472 Original log message: Releasing structure 3000472 into public domain as published material.	3000472.cif
289000	2024-01-10	cif/ Adding structures of 3000472 via cif-deposit CGI script.	3000472.cif