Crystallography Open Database

Information card for entry 7158276

Preview

Coordinates	7158276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17 Cl N2 O4
Calculated formula	C21 H17 Cl N2 O4
Title of publication	Chemoselective [3 + 2] annulation of oxime acetate with 2-aryl-3-ethoxycarbonyl-pyrroline-4,5-dione: an entry to pyrrolo[2,3-<i>b</i>]pyrrole derivatives.
Authors of publication	Ramaraju, Andhavaram; Upare, Atul; Blanch, Ewan W.; Maniam, Subashani; Sridhar, Balasubramanian; Bathula, Surendar Reddy; Raji Reddy, Chada
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	36
Pages of publication	7875 - 7882
a	27.3068 ± 0.0011 Å
b	7.9003 ± 0.0003 Å
c	18.7137 ± 0.0008 Å
α	90°
β	108.028 ± 0.001°
γ	90°
Cell volume	3838.9 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.089
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.2084
Weighted residual factors for all reflections included in the refinement	0.2161
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269783 (current)	2021-10-06	cif/ Updating files of 7158276 Original log message: Adding full bibliography for 7158276.cif.	7158276.cif
268357	2021-09-02	cif/ Adding structures of 7158276 via cif-deposit CGI script.	7158276.cif