Crystallography Open Database

Information card for entry 7133189

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Coordinates	7133189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H110 N6 O14
Calculated formula	C93.0002 H110 N6 O14
Title of publication	Vapochromic separation of toluene and pyridine azeotropes using adaptive macrocycle co-crystals.
Authors of publication	Li, Bin; Wang, Yun; Wang, Yuan; Liu, Yue; Wang, Lu; Zhang, Zhi-Yuan; Li, Chunju
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
a	12.08 ± 0.0005 Å
b	12.4509 ± 0.0005 Å
c	29.1324 ± 0.0011 Å
α	94.272 ± 0.002°
β	92.465 ± 0.002°
γ	106.74 ± 0.002°
Cell volume	4174.8 ± 0.3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 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	0.1358
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for significantly intense reflections	0.2471
Weighted residual factors for all reflections included in the refinement	0.2856
Goodness-of-fit parameter for all reflections included in the refinement	1.179
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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