Crystallography Open Database

Information card for entry 2205470

2205469 << 2205470 >> 2205471

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Structure parameters

Chemical name	1,6-Bis(pyridine-4-carboxamido)hexane
Formula	C18 H22 N4 O2
Calculated formula	C18 H22 N4 O2
SMILES	O=C(c1ccncc1)NCCCCCCNC(=O)c1ccncc1
Title of publication	1,6-Bis(pyridine-4-carboxamido)hexane
Authors of publication	Cai-Feng Ding; Mei Zhu; Xue-Mei Li; Shu-Sheng Zhang; Hong Xu; Ping-Kai Ouyang
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	4
Pages of publication	o1103 - o1104
a	5.094 ± 0.0009 Å
b	5.2911 ± 0.001 Å
c	30.759 ± 0.006 Å
α	90°
β	91.067 ± 0.003°
γ	90°
Cell volume	828.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0496
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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