Crystallography Open Database

Information card for entry 7052567

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Coordinates	7052567.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4.2Pic
Formula	C43 H42 N O10
Calculated formula	C43 H42.01 N O10
Title of publication	Calixarene nanotubes: structural tolerance towards pyridine templates
Authors of publication	Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	1
Pages of publication	28
a	46.4651 ± 0.0011 Å
b	46.4651 ± 0.0011 Å
c	12.0334 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	22499.5 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1219
Residual factor for significantly intense reflections	0.1118
Weighted residual factors for significantly intense reflections	0.322
Weighted residual factors for all reflections included in the refinement	0.3288
Goodness-of-fit parameter for all reflections included in the refinement	2.584
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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