Crystallography Open Database

Information card for entry 7158107

Preview

Coordinates	7158107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H56 B F9 N3 P
Calculated formula	C56 H56 B F9 N3 P
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	13.3489 ± 0.0004 Å
b	16.9297 ± 0.0006 Å
c	23.6112 ± 0.0008 Å
α	90°
β	101.316 ± 0.002°
γ	90°
Cell volume	5232.2 ± 0.3 Å³
Cell temperature	111 ± 2 K
Ambient diffraction temperature	111 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1655
Residual factor for significantly intense reflections	0.1005
Weighted residual factors for significantly intense reflections	0.1703
Weighted residual factors for all reflections included in the refinement	0.1945
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7158107.cif
265662	2021-06-02	cif/ Adding structures of 7158104, 7158105, 7158106, 7158107 via cif-deposit CGI script.	7158107.cif