Crystallography Open Database

Information card for entry 4022336

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Coordinates	4022336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C121 H196 Cl2 N6 O2 Si6
Calculated formula	C121 H196.334 Cl2 N6 O2.167 Si6
Title of publication	Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin
Authors of publication	Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson
Journal of publication	Journal of Organic Chemistry
Year of publication	2003
Journal volume	68
Pages of publication	1089 - 1096
a	14.2769 ± 0.0002 Å
b	17.7899 ± 0.0002 Å
c	27.249 ± 0.0004 Å
α	73.7478 ± 0.0005°
β	74.938 ± 0.0005°
γ	71.4691 ± 0.0005°
Cell volume	6187.72 ± 0.15 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.16
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for all reflections	0.1325
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.1263
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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