Crystallography Open Database

Information card for entry 1557448

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Structure parameters

Formula	C26 H26
Calculated formula	C26 H26
Title of publication	Copper-catalyzed enantioselective arylalkynylation of alkenes.
Authors of publication	Lei, Guangyue; Zhang, Hanwen; Chen, Bin; Xu, Meichen; Zhang, Guozhu
Journal of publication	Chemical science
Year of publication	2020
Journal volume	11
Journal issue	6
Pages of publication	1623 - 1628
a	9.423 ± 0.007 Å
b	10.032 ± 0.006 Å
c	11.391 ± 0.007 Å
α	90°
β	104.61 ± 0.02°
γ	90°
Cell volume	1042 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1028
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1624
Weighted residual factors for all reflections included in the refinement	0.1939
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1557448.cif
250233	2020-04-05	cif/ Updating files of 1557448 Original log message: Adding full bibliography for 1557448.cif.	1557448.cif
248751	2020-03-04	cif/ Adding structures of 1557448 via cif-deposit CGI script.	1557448.cif