Crystallography Open Database

Information card for entry 1517949

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Coordinates	1517949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H23 F N2 O
Calculated formula	C30 H23 F N2 O
SMILES	Fc1ccc(c2n(c(c(n2)Cc2ccccc2)c2ccccc2)CC(=O)c2ccccc2)cc1
Title of publication	A photochemical one-pot three-component synthesis of tetrasubstituted imidazoles.
Authors of publication	Pusch, Stefan; Opatz, Till
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	20
Pages of publication	5430 - 5433
a	8.0593 ± 0.0014 Å
b	22.292 ± 0.004 Å
c	25.202 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	4527.7 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1532
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	0.941
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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