Crystallography Open Database

Information card for entry 7158906

Preview

Coordinates	7158906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H21 F5
Calculated formula	C35 H21 F5
SMILES	Fc1c(c2c3c4c(c5c(cc(cc5C)C)C)c5c(c4ccc3c3c2cccc3)cccc5)c(F)c(F)c(F)c1F
Title of publication	Revisiting indeno[1,2-b]fluorene by steric promoted synthesis while isolating the second stable 4nπ indeno[2,1-a]fluorene
Authors of publication	Sharma, Himanshu; Bhardwaj, Nikhil; Das, Soumyajit
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2022
a	26.325 ± 0.003 Å
b	8.0202 ± 0.001 Å
c	24.777 ± 0.003 Å
α	90°
β	97.845 ± 0.004°
γ	90°
Cell volume	5182.3 ± 1.1 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.1696
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.2053
Weighted residual factors for all reflections included in the refinement	0.2682
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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

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