Crystallography Open Database

Information card for entry 4115287

Preview

Coordinates	4115287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C146 H90 Cl12 N4 O22 S4
Calculated formula	C146 H90 Cl12 N4 O22 S4
Title of publication	Macrocyclic Aromatic Ether-Imide-Sulfones: Versatile Supramolecular Receptors with Extreme Thermochemical and Oxidative Stability
Authors of publication	Howard M. Colquhoun; David J. Williams; Zhixue Zhu
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	13346 - 13347
a	9.6206 ± 0.0007 Å
b	43.267 ± 0.003 Å
c	15.1111 ± 0.0011 Å
α	90°
β	95.257 ± 0.006°
γ	90°
Cell volume	6263.6 ± 0.8 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1734
Residual factor for significantly intense reflections	0.0883
Weighted residual factors for all reflections	0.2765
Weighted residual factors for significantly intense reflections	0.2118
Goodness-of-fit parameter for all reflections	1.147
Goodness-of-fit parameter for significantly intense reflections	1.347
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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