Crystallography Open Database

Information card for entry 7250038

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Coordinates	7250038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H76 Br2 O10
Calculated formula	C73 H76 Br2 O10
Title of publication	Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state
Authors of publication	Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	13
Pages of publication	1873 - 1878
a	11.3658 ± 0.0003 Å
b	25.1078 ± 0.0007 Å
c	22.8023 ± 0.0006 Å
α	90°
β	104.364 ± 0.001°
γ	90°
Cell volume	6303.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1301
Residual factor for significantly intense reflections	0.1034
Weighted residual factors for significantly intense reflections	0.2755
Weighted residual factors for all reflections included in the refinement	0.3181
Goodness-of-fit parameter for all reflections included in the refinement	1.272
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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