Crystallography Open Database

Information card for entry 4036188

Preview

Coordinates	4036188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H39 O7
Calculated formula	C55 H39 O7
SMILES	O(c1ccc2c3cc4c(n(c5c4cc4c6ccc(OC)cc6c6cc(OC)cc7c8cc(OC)ccc8c5c4c67)C)c4c5c(c6cc(OC)cc(c2c1)c6c34)cc(cc5)OC)C
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	28.9098 ± 0.0015 Å
b	11.3723 ± 0.0005 Å
c	28.865 ± 0.002 Å
α	90°
β	119.143 ± 0.001°
γ	90°
Cell volume	8288.6 ± 0.8 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0874
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
234363 (current)	2019-11-23	cif/ Adding structures of 4036188 via cif-deposit CGI script.	4036188.cif