Crystallography Open Database

Information card for entry 7053767

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Coordinates	7053767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109 H140 Cl2 N12 O16
Calculated formula	C109 H139.519 Cl2 N12 O16
Title of publication	Synthesis of calix[4]crowns containing soft and hard ion binding sites via click chemistry
Authors of publication	Zhan, Junyan; Tian, Demei; Li, Haibing
Journal of publication	New Journal of Chemistry
Year of publication	2009
Journal volume	33
Journal issue	4
Pages of publication	725
a	12.1987 ± 0.0009 Å
b	20.8765 ± 0.0016 Å
c	24.7757 ± 0.0019 Å
α	70.119 ± 0.001°
β	79.842 ± 0.001°
γ	73.692 ± 0.001°
Cell volume	5671.9 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1439
Residual factor for significantly intense reflections	0.1061
Weighted residual factors for significantly intense reflections	0.3073
Weighted residual factors for all reflections included in the refinement	0.3297
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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