Crystallography Open Database

Information card for entry 1565915

Preview

Coordinates	1565915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H57 Cl2 N6 O11.5
Calculated formula	C49 H57 Cl2 N6 O11.5
Title of publication	Ultramacrocyclization in water via external templation
Authors of publication	Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	3
Pages of publication	798 - 803
a	10.312 ± 0.0012 Å
b	20.687 ± 0.002 Å
c	26.395 ± 0.003 Å
α	74.272 ± 0.007°
β	81.268 ± 0.008°
γ	78.693 ± 0.008°
Cell volume	5285.6 ± 1 Å³
Cell temperature	184 ± 2 K
Ambient diffraction temperature	183.95 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2236
Residual factor for significantly intense reflections	0.1263
Weighted residual factors for significantly intense reflections	0.3271
Weighted residual factors for all reflections included in the refinement	0.4007
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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