Crystallography Open Database

Information card for entry 7239296

Preview

Coordinates	7239296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.5 H51.5 Cl2 O18.25
Calculated formula	C50 H48 Cl2 O18
Title of publication	Pillar[5]arene derivatives with three different kinds of repeating units: first examples, crystal structures and selective preparation
Authors of publication	Pan, Mingguang; Xue, Min
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	1
Pages of publication	260
a	12.209 ± 0.0011 Å
b	12.3468 ± 0.0011 Å
c	19.3418 ± 0.0017 Å
α	84.024 ± 0.007°
β	87.96 ± 0.007°
γ	61.29 ± 0.009°
Cell volume	2542.9 ± 0.5 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1436
Residual factor for significantly intense reflections	0.0903
Weighted residual factors for significantly intense reflections	0.2604
Weighted residual factors for all reflections included in the refinement	0.2991
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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