Crystallography Open Database

Information card for entry 7061522

Preview

Coordinates	7061522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 N O8
Calculated formula	C25 H21 N O8
Title of publication	Convenient construction of polycyclic architectures via multicomponent reaction of amino acids, dialkyl but-2-ynedioates and 2-(o-hydroxyarylidene)-1,3-indanediones
Authors of publication	Liu, Xueyan; Sun, Jing; Yan, Chao-Guo
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	24
Pages of publication	11877 - 11882
a	9.3841 ± 0.0006 Å
b	23.6505 ± 0.0015 Å
c	10.8848 ± 0.0008 Å
α	90°
β	113.734 ± 0.002°
γ	90°
Cell volume	2211.4 ± 0.3 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	0.0707
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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