Crystallography Open Database

Information card for entry 1569759

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Coordinates	1569759.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H52 N4 O5
Calculated formula	C29.9995 H51.9988 N4 O5
Title of publication	Development of furan-2,5-dicarboxylic acid (FDCA)-based organogelators.
Authors of publication	Rabaud, Dorian; Dussart, Paul; Ducouret, Guylaine; Albouy, Pierre-Antoine; Forté, Jérémy; Isare, Benjamin; Bouteiller, Laurent
Journal of publication	Soft matter
Year of publication	2023
Journal volume	19
Journal issue	36
Pages of publication	6958 - 6967
a	9.549 ± 0.0004 Å
b	13.356 ± 0.0006 Å
c	14.7285 ± 0.0006 Å
α	108.404 ± 0.002°
β	103.569 ± 0.002°
γ	95.911 ± 0.002°
Cell volume	1700.38 ± 0.13 Å³
Cell temperature	199.98 K
Ambient diffraction temperature	199.98 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.1402
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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