Crystallography Open Database

Information card for entry 7248004

Preview

Coordinates	7248004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 F2 I
Calculated formula	C3 F2 I
Title of publication	Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction
Authors of publication	Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	6
Pages of publication	764 - 772
a	7.9881 ± 0.0008 Å
b	6.0289 ± 0.0004 Å
c	9.0193 ± 0.001 Å
α	90°
β	100.291 ± 0.009°
γ	90°
Cell volume	427.38 ± 0.07 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290145 (current)	2024-03-04	cif/ Updating files of 7248004, 7248005, 7248006 Original log message: Adding full bibliography for 7248004--7248006.cif.	7248004.cif
289039	2024-01-12	cif/ Adding structures of 7248004, 7248005, 7248006 via cif-deposit CGI script.	7248004.cif