Crystallography Open Database: Information card for 1501886

Structure parameters

Formula	C29 H22 N4 O5 S2
Calculated formula	C29 H22 N4 O5 S2
Title of publication	Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures.
Authors of publication	Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	1
Pages of publication	126 - 129
a	8.108 ± 0.0001 Å
b	11.4326 ± 0.0002 Å
c	14.8333 ± 0.0003 Å
α	101.495 ± 0.001°
β	92.42 ± 0.001°
γ	94.486 ± 0.001°
Cell volume	1340.92 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Hermann-Mauguin symmetry space group	P -1
Hall symmetry space group	-P 1
Residual factor for all reflections	0.0356
Residual factor for observed reflections	0.033
Weighted residual factors for the observed reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for observed reflections	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Crystallography Open Database