Crystallography Open Database

Information card for entry 2012749

2012748 << 2012749 >> 2012750

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Structure parameters

Chemical name	13,21,35,43-tetramethyl-3,6,9,17,25,28,31,39,46,49- decaoxaheptacyclo[21.21.3^1,23^.3^11,33^.0^2,41^.0^10,15^.0^19,24^.0^32,37^] pentaconta-1,10,12,14,19,21,23,32,34,36,41,43-dodecaene
Formula	C44 H52 O10
Calculated formula	C44 H52 O10
Title of publication	1,3-Bridged <i>p</i>-methyloctahomotetraoxacalix[4]arene‒bis-crown-3
Authors of publication	Masci, Bernardo; Colapietro, Marcello; Portalone, Gustavo; Saccheo, Stefano
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	6
Pages of publication	o345 - o346
a	29.982 ± 0.005 Å
b	14.154 ± 0.003 Å
c	27.612 ± 0.002 Å
α	90°
β	137.36 ± 0.03°
γ	90°
Cell volume	7937 ± 5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.052
Weighted residual factors for all reflections	0.067
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections	0.853
Goodness-of-fit parameter for all reflections included in the refinement	0.853
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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