Crystallography Open Database

Information card for entry 7155945

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Structure parameters

Formula	C30 H17 Cl4 N
Calculated formula	C30 H17 Cl4 N
SMILES	Clc1ccc2c3n(c4c(c3c3c(c2c1)cc(Cl)cc3)c1ccc(Cl)cc1c1c4ccc(Cl)c1)CC
Title of publication	Photochemical and oxidative cyclisation of tetraphenylpyrroles
Authors of publication	Ferguson, Jayne L.; Squire, Marie A.; Fitchett, Christopher M.
Journal of publication	Org. Biomol. Chem.
Year of publication	2017
a	9.9632 ± 0.0003 Å
b	11.2079 ± 0.0003 Å
c	11.9471 ± 0.0004 Å
α	64.541 ± 0.002°
β	74.712 ± 0.002°
γ	75.154 ± 0.002°
Cell volume	1146.17 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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