Crystallography Open Database

Information card for entry 4031058

Preview

Coordinates	4031058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 N O6
Calculated formula	C24 H25 N O6
SMILES	O=C(c1c(NC2CCCCC2)c2Oc3c(C(=O)c2c(c1)C(=O)OC)ccc(OC)c3)C
Title of publication	Regioselective Tandem [4 + 1]-[4 + 2] Synthesis of Amino-Substituted Dihydroxanthones and Xanthones.
Authors of publication	Bornadiego, Ana; Díaz, Jesús; Marcos, Carlos F.
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	12
Pages of publication	6165 - 6172
a	12.6115 ± 0.0002 Å
b	13.0653 ± 0.0002 Å
c	14.4113 ± 0.0002 Å
α	67.348°
β	71.132°
γ	86.941 ± 0.001°
Cell volume	2066.77 ± 0.05 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.054
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1384
Weighted residual factors for all reflections included in the refinement	0.1506
Goodness-of-fit parameter for all reflections included in the refinement	1.1487
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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