Crystallography Open Database

Information card for entry 7125966

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Coordinates	7125966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H171.4 N26 O59.6 P6
Calculated formula	C82 H120 N26 O59.6 P6
Title of publication	Supramolecular traps for highly phosphorylated inositol sources of phosphorus.
Authors of publication	Pramanik, Subhamay; Day, Victor W.; Bowman-James, Kristin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	22
Pages of publication	3269 - 3272
a	18.3819 ± 0.0008 Å
b	18.3819 ± 0.0008 Å
c	35.5789 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	10411.3 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.2191
Residual factor for significantly intense reflections	0.1584
Weighted residual factors for significantly intense reflections	0.3512
Weighted residual factors for all reflections included in the refinement	0.3915
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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