Crystallography Open Database

Information card for entry 7245627

Preview

Coordinates	7245627.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Si-Xanthone
Chemical name	3,7-bis(dimethylamino)-5,5-dimethyldibenzo[b,e]silin-10(5H)-one
Formula	C19 H24 N2 O Si
Calculated formula	C19 H24 N2 O Si
SMILES	[Si]1(c2cc(N(C)C)ccc2C(=O)c2c1cc(N(C)C)cc2)(C)C
Title of publication	Bioorthogonal site-selective conjugation of fluorescent dyes to antibodies: method and potential applications
Authors of publication	Grossenbacher, Philipp; Essers, Maria C.; Moser, Joël; Singer, Simon A.; Häusler, Stephanie; Stieger, Bruno; Rougier, Jean-Sébastien; Lochner, Martin
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	44
Pages of publication	28306 - 28317
a	9.71112 ± 0.00009 Å
b	15.04527 ± 0.00014 Å
c	11.81596 ± 0.00012 Å
α	90°
β	90.7446 ± 0.0009°
γ	90°
Cell volume	1726.24 ± 0.03 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
278375 (current)	2022-10-06	cif/ Adding structures of 7245626, 7245627, 7245628, 7245629 via cif-deposit CGI script.	7245627.cif