Crystallography Open Database

Information card for entry 4518228

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Coordinates	4518228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H53.62 O35 Zn2
Calculated formula	C46 H53.62 O35 Zn2
Title of publication	Design of Potential Pharmaceutical-Based Metal Complexes Derived from Cromolyn a Mast Cell Stabilizer
Authors of publication	Rodríguez, Israel; Flores Bello, Jeaninna; Marie Serrano Valcárcel, Joyce; López-Mejías, Vilmalí
Journal of publication	ACS Omega
Year of publication	2020
Journal volume	5
Journal issue	46
Pages of publication	29714 - 29721
a	31.90641 ± 0.00018 Å
b	6.99799 ± 0.00005 Å
c	22.92769 ± 0.00014 Å
α	90°
β	95.6148 ± 0.0006°
γ	90°
Cell volume	5094.75 ± 0.06 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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