Crystallography Open Database

Information card for entry 1501928

1501927 << 1501928 >> 1501929

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Coordinates	1501928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H22 O7
Calculated formula	C27 H22 O7
SMILES	O=C(OC)C1(CC(=O)c2c(cc(O)c(c2C(=O)c2ccccc2)c2ccccc2)C1)C(=O)OC
Title of publication	Rhodium-catalyzed tandem heterocyclization and carbonylative [(3+2)+1] cyclization of diyne-enones.
Authors of publication	Zhao, Wanxiang; Zhang, Junliang
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	4
Pages of publication	688 - 691
a	9.6288 ± 0.0004 Å
b	10.5846 ± 0.0004 Å
c	11.482 ± 0.0004 Å
α	75.515 ± 0.001°
β	80.586 ± 0.001°
γ	83.926 ± 0.001°
Cell volume	1115.17 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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