Crystallography Open Database

Information card for entry 4022334

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Coordinates	4022334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H130 Cl2 N4 O Si4
Calculated formula	C81 H130 Cl2 N4 O Si4
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	15.287 ± 0.0007 Å
b	15.617 ± 0.0009 Å
c	19.032 ± 0.0011 Å
α	107.214 ± 0.003°
β	106.306 ± 0.003°
γ	92.789 ± 0.003°
Cell volume	4122.3 ± 0.4 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	0.1137
Residual factor for significantly intense reflections	0.0943
Weighted residual factors for all reflections	0.0956
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.0154
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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