Crystallography Open Database

Information card for entry 7249218

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Coordinates	7249218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H75 Br N2 O10
Calculated formula	C62 H75 Br N2 O10
Title of publication	Solvent-induced supramolecular self-assembly in a 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
Journal volume	26
Journal issue	37
Pages of publication	5138 - 5143
a	11.2957 ± 0.0012 Å
b	12.2233 ± 0.0012 Å
c	24.689 ± 0.003 Å
α	75.969 ± 0.005°
β	89.341 ± 0.006°
γ	62.754 ± 0.004°
Cell volume	2920.6 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2748
Residual factor for significantly intense reflections	0.1037
Weighted residual factors for significantly intense reflections	0.2568
Weighted residual factors for all reflections included in the refinement	0.3433
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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