Crystallography Open Database

Information card for entry 4129912

Preview

Coordinates	4129912.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	nonamer1
Formula	C180.24 H176.19 N14 O7
Calculated formula	C180.26 H176.224 N14 O7
Title of publication	Folding-Generated Molecular Tubes Containing One-Dimensional Water Chains.
Authors of publication	Jeon, Hae-Geun; Jung, Jin Young; Kang, Philjae; Choi, Moon-Gun; Jeong, Kyu-Sung
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	1
Pages of publication	92 - 95
a	18.3781 ± 0.0016 Å
b	20.5298 ± 0.0019 Å
c	25.009 ± 0.002 Å
α	71.612 ± 0.004°
β	71.701 ± 0.004°
γ	75.717 ± 0.004°
Cell volume	8386.3 ± 1.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1142
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1595
Weighted residual factors for all reflections included in the refinement	0.1769
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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