Crystallography Open Database

Information card for entry 7709015

Preview

Coordinates	7709015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H34 B F10 N3
Calculated formula	C39 H34 B F10 N3
SMILES	N(C1=CC(=[B](C#N)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)N(C(C1)Cc1ccccc1)c1c(C)cccc1C)(C(C)C)C(C)C
Title of publication	Formation of cyclic (boryl)iminomethane derivatives by insertion of isocyanides into the boron-carbon bond
Authors of publication	Zhou, Haiyu; Wang, Jingjing; Meng, Yuxuan; Liu, Fei; Wang, Tongdao
Journal of publication	Dalton Transactions
Year of publication	2021
a	9.2344 ± 0.0008 Å
b	18.7674 ± 0.0016 Å
c	20.7528 ± 0.0019 Å
α	90°
β	100.808 ± 0.003°
γ	90°
Cell volume	3532.8 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.189
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	1
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
271071 (current)	2021-12-04	cif/ Adding structures of 7709011, 7709012, 7709013, 7709014, 7709015, 7709016 via cif-deposit CGI script.	7709015.cif