Crystallography Open Database

Information card for entry 7108755

Preview

Coordinates	7108755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H23 N O3
Calculated formula	C25 H23 N O3
SMILES	c12ccccc1C(=CC(c1ccc(cc1)OC)N2Cc1ccccc1)C(=O)OC
Title of publication	Palladium-catalyzed insertion of alpha-diazocarbonyl compounds for the synthesis of cyclic amino esters
Authors of publication	Ping-Xin Zhou; Zhao-Zhao Zhou; Zi-Sheng Chen; Yu-Ying Ye; Lian-Biao Zhao; Yan-Fang Yang; Xiao-Feng Xia; Jian-Yi Luo; Yong-Min Liang
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	561
a	10.343 ± 0.01 Å
b	9.614 ± 0.009 Å
c	20.75 ± 0.02 Å
α	90°
β	101.745 ± 0.011°
γ	90°
Cell volume	2020 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.1349
Residual factor for significantly intense reflections	0.0901
Weighted residual factors for significantly intense reflections	0.2854
Weighted residual factors for all reflections included in the refinement	0.3272
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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