Crystallography Open Database

Information card for entry 4022335

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Coordinates	4022335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85.5 H136 N4 O2 Si4 Zn
Calculated formula	C85.5 H136 N4 O2 Si4 Zn
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	15.403 ± 0.0003 Å
b	17.2992 ± 0.0004 Å
c	18.1735 ± 0.0005 Å
α	77.4494 ± 0.0011°
β	87.2644 ± 0.0012°
γ	65.4764 ± 0.0018°
Cell volume	4295.47 ± 0.19 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	0.1475
Residual factor for significantly intense reflections	0.0927
Weighted residual factors for all reflections	0.1295
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.0371
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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