Crystallography Open Database

Information card for entry 7158105

Preview

Coordinates	7158105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H39 B F9 N3
Calculated formula	C41 H39 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	20.6283 ± 0.0007 Å
b	8.916 ± 0.0002 Å
c	19.7224 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3627.38 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1019
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.181
Weighted residual factors for all reflections included in the refinement	0.2025
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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.	7158105.cif
265662	2021-06-02	cif/ Adding structures of 7158104, 7158105, 7158106, 7158107 via cif-deposit CGI script.	7158105.cif