Crystallography Open Database

Information card for entry 4500067

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Coordinates	4500067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H110 O9
Calculated formula	C133 H102 O8
Title of publication	Weak Interactions in the Crystal Structures of Tetraacetylenes Derived from Pentaerythrityl Tetraphenyl Ether
Authors of publication	Dominic Laliberté; Thierry Maris; Patrick Eddy Ryan; James D. Wuest
Journal of publication	Cryst. Growth & Design
Year of publication	2006
Journal volume	6
Pages of publication	1335 - 1340
a	13.3774 ± 0.001 Å
b	18.5479 ± 0.0014 Å
c	21.6543 ± 0.0015 Å
α	91.4 ± 0.004°
β	98.717 ± 0.004°
γ	98.773 ± 0.004°
Cell volume	5242.5 ± 0.7 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1286
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1622
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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