Crystallography Open Database

Information card for entry 7238679

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Coordinates	7238679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H49 N5 O9
Calculated formula	C48 H49 N5 O9
Title of publication	Reversible encapsulation of a nitrate guest via hydrogen-bonded self-assembled capsule formation by a flexible tripodal receptor in polar solvent through dynamic self-assembly
Authors of publication	Singh, Ashutosh S.; Sun, Shih-Sheng
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	25
Pages of publication	9502
a	15.5323 ± 0.0006 Å
b	15.5323 ± 0.0006 Å
c	11.4631 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	2394.99 ± 0.18 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.2109
Residual factor for significantly intense reflections	0.1807
Weighted residual factors for significantly intense reflections	0.4861
Weighted residual factors for all reflections included in the refinement	0.4985
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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