Crystallography Open Database

Information card for entry 1576275

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Coordinates	1576275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H60 Cl N9 O
Calculated formula	C54 H53 N9 O
Title of publication	Inherently Chiral Homo-Heteracalixarenes: Design and Synthesis via Enantioselective Intramolecular Sonogashira Cross-coupling Reaction
Authors of publication	Jiang, Yi-Fan Shuo; Zhang, Yue; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang
Journal of publication	Chemical Science
Year of publication	2025
a	16.1006 ± 0.0003 Å
b	17.7313 ± 0.0002 Å
c	19.5691 ± 0.0003 Å
α	86.873 ± 0.001°
β	85.482 ± 0.001°
γ	65.721 ± 0.001°
Cell volume	5075.22 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0726
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1786
Weighted residual factors for all reflections included in the refinement	0.1904
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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