Crystallography Open Database

Information card for entry 7133254

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Coordinates	7133254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H41 N2 O12
Calculated formula	C37 H41 N2 O12
Title of publication	A crown ether embedded responsive π-gelator for transition from a one-component gel to a two-component gel.
Authors of publication	Wu, Simei; Tao, Wei; Wang, Tao; Xu, Jieqiong; Wei, Peifa
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	63
Pages of publication	8232 - 8235
a	31.3061 ± 0.0014 Å
b	4.701 ± 0.0002 Å
c	26.9834 ± 0.0013 Å
α	90°
β	93.029 ± 0.004°
γ	90°
Cell volume	3965.6 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.1303
Residual factor for significantly intense reflections	0.0976
Weighted residual factors for significantly intense reflections	0.236
Weighted residual factors for all reflections included in the refinement	0.2716
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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