Crystallography Open Database

Information card for entry 7250037

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Coordinates	7250037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H120 Br4 O12
Calculated formula	C102 H120 Br4 O12
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	38.7491 ± 0.0009 Å
b	10.4816 ± 0.0002 Å
c	23.9295 ± 0.0005 Å
α	90°
β	107.054 ± 0.001°
γ	90°
Cell volume	9291.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0621
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1436
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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