Crystallography Open Database

Information card for entry 7249220

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Coordinates	7249220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H81 Br N2 O12
Calculated formula	C62 H81 Br N2 O12
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	19.657 ± 0.0004 Å
b	16.4198 ± 0.0003 Å
c	37.8697 ± 0.0007 Å
α	90°
β	90.498 ± 0.001°
γ	90°
Cell volume	12222.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0588
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1602
Weighted residual factors for all reflections included in the refinement	0.1656
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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