Crystallography Open Database

Information card for entry 7127503

Preview

Coordinates	7127503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 N2 O5
Calculated formula	C34 H32 N2 O5
SMILES	c1cccc2c1ccc1c(c3c(c(cc(c3)C)C)NC(=O)OC(C)(C)C)c(c(C(=O)c3ccccc3)n21)C(=O)OC
Title of publication	Assembly of functionalized π-extended indolizine polycycles through dearomative [3+2] cycloaddition/oxidative decarbonylation.
Authors of publication	Jin, Shaojing; Wang, Lele; Han, Huabin; Liu, Xiongli; Bu, Zhanwei; Wang, Qilin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	3
Pages of publication	359 - 362
a	13.719 ± 0.0004 Å
b	13.4877 ± 0.0003 Å
c	16.7867 ± 0.0004 Å
α	90°
β	105.527 ± 0.002°
γ	90°
Cell volume	2992.81 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261569 (current)	2021-02-05	cif/ Updating files of 7127503 Original log message: Adding full bibliography for 7127503.cif.	7127503.cif
259665	2020-12-09	cif/ Adding structures of 7127503 via cif-deposit CGI script.	7127503.cif