Crystallography Open Database

Information card for entry 7105986

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Coordinates	7105986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H35 N
Calculated formula	C56 H35 N
SMILES	N(c1ccc(C23c4c(cccc4)c4c2c(ccc4)c2c3cccc2)cc1)(c1ccc(C23c4c(cccc4)c4c2c(ccc4)c2c3cccc2)cc1)c1ccccc1
Title of publication	Fluoradenes via palladium-catalyzed intramolecular arylation
Authors of publication	Lingling Rong; Qiancai Liu; Yingbo Shi; Jie Tang
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	2155
a	8.1129 ± 0.0003 Å
b	9.2093 ± 0.0003 Å
c	27.8672 ± 0.001 Å
α	88.764 ± 0.001°
β	83.52 ± 0.001°
γ	65.079 ± 0.001°
Cell volume	1875.37 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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