Crystallography Open Database

Information card for entry 7243250

Preview

Coordinates	7243250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H12 B Cl O3 Si
Calculated formula	C9 H12 B Cl O3 Si
SMILES	Clc1c2[Si](OB(O)c2ccc1OC)(C)C
Title of publication	Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation
Authors of publication	Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	41
Pages of publication	25104 - 25121
a	8.8909 ± 0.0002 Å
b	13.0768 ± 0.0003 Å
c	21.5996 ± 0.0008 Å
α	105.046 ± 0.002°
β	100.815 ± 0.003°
γ	90.79 ± 0.002°
Cell volume	2376.92 ± 0.12 Å³
Cell temperature	100 ± 2 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	0.0621
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
267692 (current)	2021-07-22	cif/ Adding structures of 7243249, 7243250, 7243251, 7243252, 7243253, 7243254, 7243255 via cif-deposit CGI script.	7243250.cif