Crystallography Open Database

Information card for entry 1555559

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Coordinates	1555559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H24 O3
Calculated formula	C29 H24 O3
SMILES	O1Cc2c(cccc2)C2=C(c3c(C12C)ccc1c3ccc(OC)c1)c1ccc(OC)cc1
Title of publication	Correction to "Lewis Acid Catalyzed Tandem Polycyclization of Internal Alkynols and Vinyl Azides".
Authors of publication	Siyang, Hai Xiao; Ji, Xiao Yue; Wu, Xu Rui; Wu, Xin Yan; Liu, Pei Nian
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	9
Pages of publication	2323 - 2324
a	13.3405 ± 0.0017 Å
b	7.7448 ± 0.001 Å
c	22.406 ± 0.003 Å
α	90°
β	104.615 ± 0.003°
γ	90°
Cell volume	2240.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0774
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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