Crystallography Open Database

Information card for entry 7133253

Preview

Coordinates	7133253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H45 N3 O12
Calculated formula	C39 H45 N3 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	16.1387 ± 0.0008 Å
b	28.3321 ± 0.0011 Å
c	8.3321 ± 0.0004 Å
α	90°
β	95.419 ± 0.004°
γ	90°
Cell volume	3792.8 ± 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	0.1257
Residual factor for significantly intense reflections	0.0992
Weighted residual factors for significantly intense reflections	0.234
Weighted residual factors for all reflections included in the refinement	0.2641
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7133253.html