Crystallography Open Database

Information card for entry 7061527

Preview

Coordinates	7061527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26 Br N O7 S
Calculated formula	C27 H26 Br N O7 S
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	11.3861 ± 0.0008 Å
b	11.8929 ± 0.0009 Å
c	13.0322 ± 0.0009 Å
α	95.335 ± 0.002°
β	105.086 ± 0.002°
γ	114.424 ± 0.002°
Cell volume	1510.51 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1405
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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