Crystallography Open Database

Information card for entry 1558131

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Coordinates	1558131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 Cl N2 O5
Calculated formula	C28 H24 Cl N2 O5
Title of publication	NaH Promoted One-Pot Tandem Reactions of 3-(1-Alkynyl) Chromones to Form 2-Nitrogen-Substituted Xanthones
Authors of publication	Duan, Wen-Di; Zhang, Yu-Fang; Hu, Youhong
Journal of publication	ACS Omega
Year of publication	2020
Journal volume	5
Journal issue	22
Pages of publication	13454 - 13461
a	26.429 ± 0.002 Å
b	26.429 ± 0.002 Å
c	7.867 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5495 ± 0.8 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1561
Residual factor for significantly intense reflections	0.0746
Weighted residual factors for significantly intense reflections	0.1877
Weighted residual factors for all reflections included in the refinement	0.2393
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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