Crystallography Open Database

Information card for entry 7714266

Preview

Coordinates	7714266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H27 B F2 N2
Calculated formula	C23 H27 B F2 N2
SMILES	F[B]1(F)[N](=C(N1C(C)(C)C)c1c2c(c3c(c1)cccc3)cccc2)C(C)(C)C
Title of publication	Blue Emissive Amidinate Based Tetra coordinate Boron Compounds
Authors of publication	Kannan, Ramkumar; Nayak, Prakash; Arumugam, Ramar; Krishna Rao, D.; Mote, Kaustubh R.; Murali, Anna Chandrasekar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli
Journal of publication	Dalton Transactions
Year of publication	2023
a	12.9281 ± 0.0005 Å
b	12.2645 ± 0.0004 Å
c	13.2506 ± 0.0004 Å
α	90°
β	95.12 ± 0.004°
γ	90°
Cell volume	2092.59 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0937
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1818
Weighted residual factors for all reflections included in the refinement	0.1998
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
287067 (current)	2023-10-21	cif/ Adding structures of 7714266, 7714267, 7714268, 7714269, 7714270, 7714271, 7714272 via cif-deposit CGI script.	7714266.cif