Crystallography Open Database

Information card for entry 7157574

Preview

Coordinates	7157574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 N4 O5
Calculated formula	C27 H24 N4 O5
Title of publication	A PPh<sub>3</sub>-catalyzed sequential annulation reaction to construct cyclopentane-fused dihydropyrazolone-pyrrolidinediones.
Authors of publication	Cheng, Cheng; Sun, Xiaobin; Miao, Zhiwei
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	29
Pages of publication	5577 - 5581
a	8.002 ± 0.0016 Å
b	12.123 ± 0.002 Å
c	12.728 ± 0.003 Å
α	75.11 ± 0.03°
β	76.29 ± 0.03°
γ	77.95 ± 0.03°
Cell volume	1144.8 ± 0.5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0849
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1699
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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