Crystallography Open Database

Information card for entry 2018813

2018812 << 2018813 >> 2018814

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Structure parameters

Common name	SHELXL-97
Chemical name	Perchlorotriphenylmethyl
Formula	C19 Cl15
Calculated formula	C19 Cl15
SMILES	Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)[C](c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
Title of publication	The perchlorotriphenylmethyl (PTM) radical
Authors of publication	Guasch, Judith; Fontrodona, Xavier; Ratera, Imma; Rovira, Concepció; Veciana, Jaume
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	3
Pages of publication	255 - 257
a	13.718 ± 0.01 Å
b	11.542 ± 0.008 Å
c	17.946 ± 0.013 Å
α	90°
β	108.134 ± 0.013°
γ	90°
Cell volume	2700 ± 3 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	2
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	0.2132
Residual factor for significantly intense reflections	0.0925
Weighted residual factors for significantly intense reflections	0.2736
Weighted residual factors for all reflections included in the refinement	0.3455
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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