Crystallography Open Database

Information card for entry 7709013

Preview

Coordinates	7709013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H33 B F10 N2
Calculated formula	C38 H33 B F10 N2
SMILES	[B]1([N](=C1C=C(N(C(C)C)C(C)C)C/C=C/c1ccccc1)c1c(C)cccc1C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
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	14.684 ± 0.006 Å
b	12.759 ± 0.006 Å
c	19.053 ± 0.008 Å
α	90°
β	99.678 ± 0.009°
γ	90°
Cell volume	3519 ± 3 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 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	0.221
Residual factor for significantly intense reflections	0.0846
Weighted residual factors for significantly intense reflections	0.1723
Weighted residual factors for all reflections included in the refinement	0.2132
Goodness-of-fit parameter for all reflections included in the refinement	0.897
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.	7709013.cif