Crystallography Open Database

Information card for entry 7250812

Preview

Coordinates	7250812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H27 B F4 N2 S2
Calculated formula	C18 H27 B F4 N2 S2
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	10.0876 ± 0.0002 Å
b	10.7862 ± 0.0002 Å
c	11.0225 ± 0.0003 Å
α	106.729 ± 0.002°
β	108.33 ± 0.002°
γ	104.687 ± 0.002°
Cell volume	1009.18 ± 0.05 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7250812.cif