Crystallography Open Database

Information card for entry 7251456

Preview

Coordinates	7251456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H76 Br2 O10
Calculated formula	C73 H76 Br2 O10
Title of publication	Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene
Authors of publication	Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.
Journal of publication	CrystEngComm
Year of publication	2026
Journal volume	28
Journal issue	8
Pages of publication	1331 - 1338
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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