Crystallography Open Database

Information card for entry 2023524

2023523 << 2023524 >> 2023525

Preview

Coordinates	2023524.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	5,5-Difluoro-10-[5-(trimethylsilyl)furan-2-yl]-5<i>H</i>-4λ^4^,5λ^4^-dipyrrolo[1,2-<i>c</i>:2',1'-<i>f</i>][1,3,2]diazaborinine
Formula	C16 H17 B F2 N2 O Si
Calculated formula	C16 H17 B F2 N2 O Si
Title of publication	Crystal structure and Hirshfeld surface analysis of 5,5-difluoro-10-[5-(trimethylsilyl)furan-2-yl]-5H-4λ4,5λ4-dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine
Authors of publication	Shchevnikov, Dmitriy M.; Kutasevich, Alexandra G.; Khrustalev, Victor N.; Guliyeva, Narmina A.; Hasanov, Khudayar I.; Akkurt, Mehmet; Manahelohe, Gizachew Mulugeta
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	7
a	19.2621 ± 0.0002 Å
b	7.20455 ± 0.00011 Å
c	23.1309 ± 0.0003 Å
α	90°
β	92.2617 ± 0.0012°
γ	90°
Cell volume	3207.48 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
300212 (current)	2025-06-26	cif/ Adding structures of 2023524 via cif-deposit CGI script.	2023524.cif