Crystallography Open Database

Information card for entry 7242079

7242078 << 7242079 >> 7242080

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Coordinates	7242079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H72 Br2 O10
Calculated formula	C60 H72 Br2 O10
Title of publication	Concentration-dependent supramolecular self-assembly of A1/A2-asymmetric-difunctionalized pillar[5]arene
Authors of publication	Al-Azemi, Talal F.; Vinodh, Mickey
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	5
Pages of publication	2995 - 3002
a	38.9455 ± 0.0013 Å
b	12.2323 ± 0.0005 Å
c	24.7957 ± 0.0008 Å
α	90°
β	98.379 ± 0.007°
γ	90°
Cell volume	11686.4 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2227
Residual factor for significantly intense reflections	0.1114
Weighted residual factors for significantly intense reflections	0.3046
Weighted residual factors for all reflections included in the refinement	0.3723
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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