Crystallography Open Database

Information card for entry 7250810

Preview

Coordinates	7250810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H17 B F4 N2 Se2
Calculated formula	C14 H17 B F4 N2 Se2
Title of publication	Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium
Authors of publication	Ozeryanskii, Valery A.; Demidov, Oleg; Marchenko, Andrey V.
Journal of publication	CrystEngComm
Year of publication	2025
a	14.7071 ± 0.0009 Å
b	7.754 ± 0.0005 Å
c	15.6954 ± 0.0011 Å
α	90°
β	111.348 ± 0.007°
γ	90°
Cell volume	1667.1 ± 0.2 Å³
Cell temperature	100 ± 0.3 K
Ambient diffraction temperature	100 ± 0.3 K
Number of distinct elements	6
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	0.0399
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0751
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
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
301897 (current)	2025-08-27	cif/ Adding structures of 7250802, 7250803, 7250804, 7250805, 7250806, 7250807, 7250808, 7250809, 7250810, 7250811, 7250812 via cif-deposit CGI script.	7250810.cif