Crystallography Open Database

Information card for entry 1577284

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Coordinates	1577284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H59 N O12
Calculated formula	C48 H59 N O12
Title of publication	AIE-active supramolecular cross-linked polymer gel based on multiple orthogonal non-covalent interactions with stimulus-responsive properties
Authors of publication	Mao, Ni; Hou, Xiaorong; Tian, Xueqi; Jiao, Jianmin; Hu, Xiao-Yu
Journal of publication	Nanoscale
Year of publication	2026
a	12.4293 ± 0.0007 Å
b	12.6498 ± 0.0005 Å
c	15.7096 ± 0.0007 Å
α	106.805 ± 0.001°
β	106.915 ± 0.001°
γ	99.864 ± 0.001°
Cell volume	2172.46 ± 0.18 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0808
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.2027
Weighted residual factors for all reflections included in the refinement	0.2088
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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