Crystallography Open Database

Information card for entry 4119817

4119816 << 4119817 >> 4119818

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Coordinates	4119817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H19 N O5
Calculated formula	C26 H19 N O5
SMILES	c1ccccc1C(=O)C1=CC(=C(CC1)c1ccccc1)OC(=O)c1ccc(cc1)N(=O)=O
Title of publication	Gold-Catalyzed Cycloisomerization of 1,6-Diyne Carbonates and Esters to 2,4a-Dihydro-1H-fluorenes
Authors of publication	Weidong Rao; Ming Joo Koh; Dan Li; Hajime Hirao; Philip Wai Hong Chan
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	7926 - 7932
a	9.079 ± 0.0005 Å
b	36.296 ± 0.002 Å
c	6.5673 ± 0.0003 Å
α	90°
β	108.441 ± 0.003°
γ	90°
Cell volume	2053 ± 0.19 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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