Crystallography Open Database

Information card for entry 7158104

Preview

Coordinates	7158104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H41 B F9 N3
Calculated formula	C42 H41 B F9 N3
Title of publication	Formation of amidino-borate derivatives by a multi-component reaction.
Authors of publication	Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	25
Pages of publication	5551 - 5554
a	9.7145 ± 0.0002 Å
b	11.9901 ± 0.0003 Å
c	17.9234 ± 0.0006 Å
α	103.282 ± 0.001°
β	95.226 ± 0.001°
γ	109.005 ± 0.002°
Cell volume	1889.6 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0985
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.1854
Weighted residual factors for all reflections included in the refinement	0.2064
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
267243 (current)	2021-07-05	cif/ Updating files of 7158104, 7158105, 7158106, 7158107 Original log message: Adding full bibliography for 7158104--7158107.cif.	7158104.cif
265662	2021-06-02	cif/ Adding structures of 7158104, 7158105, 7158106, 7158107 via cif-deposit CGI script.	7158104.cif