Crystallography Open Database

Information card for entry 7249222

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Coordinates	7249222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C245 H317 Br4 N7 O47
Calculated formula	C245 H317 Br4 N7 O47
Title of publication	Solvent-induced supramolecular self-assembly in solid-state A1/A2-difunctionlized pillar[5]arene host
Authors of publication	Vinodh, Mickey; Al-Azemi, Talal F
Journal of publication	CrystEngComm
Year of publication	2024
a	19.6591 ± 0.0004 Å
b	16.4212 ± 0.0004 Å
c	37.8641 ± 0.0008 Å
α	90°
β	90.487 ± 0.001°
γ	90°
Cell volume	12223.1 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1739
Weighted residual factors for all reflections included in the refinement	0.1868
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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