Crystallography Open Database

Information card for entry 4036187

Preview

Coordinates	4036187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.5 H18 F4 N
Calculated formula	C36.5 H18 F4 N
SMILES	CN1c2cc3c4ccc(cc4c4cc(ccc4c3cc2c2c1cc1c(c2)c2ccc(cc2c2cc(ccc12)F)F)F)F.N1c2cc3c4ccc(cc4c4cc(ccc4c3cc2c2c1cc1c(c2)c2ccc(cc2c2cc(ccc12)F)F)F)F
Title of publication	Synthesis of Polyarylated Carbazoles: Discovery toward Soluble Phenanthro- and Tetraceno-Fused Carbazole Derivatives.
Authors of publication	Kumar, Sushil; Tao, Yu-Tai
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	10
Pages of publication	5066 - 5076
a	14.566 ± 0.003 Å
b	20.54 ± 0.004 Å
c	7.8955 ± 0.0014 Å
α	90°
β	95.933 ± 0.006°
γ	90°
Cell volume	2349.6 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
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	0.1328
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.1795
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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
234361 (current)	2019-11-23	cif/ Adding structures of 4036187 via cif-deposit CGI script.	4036187.cif