Crystallography Open Database

Information card for entry 7238680

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Coordinates	7238680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H39 N7 O12
Calculated formula	C45 H39 N7 O12
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	23.327 ± 0.014 Å
b	11.333 ± 0.006 Å
c	15.245 ± 0.009 Å
α	90°
β	99.697 ± 0.015°
γ	90°
Cell volume	3973 ± 4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.2315
Residual factor for significantly intense reflections	0.17
Weighted residual factors for significantly intense reflections	0.4652
Weighted residual factors for all reflections included in the refinement	0.4923
Goodness-of-fit parameter for all reflections included in the refinement	1.651
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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