Crystallography Open Database

Information card for entry 2202598

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Structure parameters

Chemical name	Ethyl 2-(acetylamino)-2-(9-hydroxy-10-oxo-9,10-dihydro-9-phenanthrenyl)acetate
Formula	C20 H19 N O5
Calculated formula	C20 H19 N O5
SMILES	O[C@]1(c2ccccc2c2ccccc2C1=O)[C@H](NC(=O)C)C(=O)OCC.O[C@@]1(c2ccccc2c2ccccc2C1=O)[C@@H](NC(=O)C)C(=O)OCC
Title of publication	Ethyl 2-(acetylamino)-2-(9-hydroxy-10-oxo-9,10-dihydro-9-phenanthrenyl)acetate
Authors of publication	Xue-Mei Li; Lei Wang; Jian-Hua Xu; Shu-Sheng Zhang; Hoong-Kun Fun
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	12
Pages of publication	o1907 - o1908
a	7.7205 ± 0.0005 Å
b	8.8797 ± 0.0006 Å
c	14.1801 ± 0.001 Å
α	82.795 ± 0.001°
β	80.241 ± 0.001°
γ	64.415 ± 0.001°
Cell volume	862.63 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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