Crystallography Open Database

Information card for entry 4025044

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Structure parameters

Formula	C24 H32 N8 O4
Calculated formula	C24 H32 N8 O4
SMILES	n1c2Nc3nc(Nc4nc(Nc5nc(Nc1ccc2)ccc5)ccc4)ccc3.OC.OC.OC.OC
Title of publication	Synthesis of (NH)m(NMe)4-m-Bridged Calix[4]pyridines and the Effect of NH Bridge on Structure and Properties
Authors of publication	En-Xuan Zhang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	8595 - 8603
a	9.0201 ± 0.0018 Å
b	11.398 ± 0.002 Å
c	25.984 ± 0.006 Å
α	90°
β	108.07 ± 0.03°
γ	90°
Cell volume	2539.7 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0946
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.1854
Weighted residual factors for all reflections included in the refinement	0.1908
Goodness-of-fit parameter for all reflections included in the refinement	1.245
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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