Crystallography Open Database

Information card for entry 7200503

7200502 << 7200503 >> 7200504

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Coordinates	7200503.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(3-pyrazinylcarbonylaminopropyl)amine
Formula	C16 H37 N7 O10
Calculated formula	C16 H37 N7 O10
Title of publication	Observation of a quasi-one-dimensional water aggregate in a supramolecular organic host
Authors of publication	Shi, Xue-Fang; Song, Hai-Bin; He, Lei; Zhang, Wen-Qin
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	4
Pages of publication	542
a	11.016 ± 0.002 Å
b	25.86 ± 0.005 Å
c	4.517 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1286.8 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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