Crystallography Open Database

Information card for entry 3000471

Preview

Coordinates	3000471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 O2
Calculated formula	C14 H10 O2
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	15.213 Å
b	37.104 Å
c	3.805 Å
α	90°
β	90°
γ	90°
Cell volume	2147.78 Å³
Cell temperature	79 K
Ambient diffraction temperature	79 K
Number of distinct elements	3
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.1519
Residual factor for significantly intense reflections	0.1339
Weighted residual factors for significantly intense reflections	0.3188
Weighted residual factors for all reflections included in the refinement	0.328
Goodness-of-fit parameter for all reflections included in the refinement	1.261
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
294768 (current)	2024-09-17	cif/ Updating files of 3000471 Original log message: Releasing structure 3000471 into public domain as published material.	3000471.cif
288999	2024-01-10	cif/ Adding structures of 3000471 via cif-deposit CGI script.	3000471.cif