Crystallography Open Database

Information card for entry 1543036

Preview

Coordinates	1543036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H14 N O2.5
Calculated formula	C10 H14 N O2.5
SMILES	n12c(ccc2C)C(=O)C[C@H](O)[C@H]1C.O
Title of publication	Curindolizine, an Anti-Inflammatory Agent Assembled via Michael Addition of Pyrrole Alkaloids Inside Fungal Cells.
Authors of publication	Han, Wen Bo; Zhang, Ai Hua; Deng, Xin Zhao; Lei, Xinxiang; Tan, Ren Xiang
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	8
Pages of publication	1816 - 1819
a	7.9708 ± 0.0004 Å
b	10.4075 ± 0.0006 Å
c	11.9312 ± 0.0007 Å
α	90°
β	95.083 ± 0.002°
γ	90°
Cell volume	985.87 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
182528 (current)	2016-05-04	cif/ Updating files of 1543035, 1543036 Original log message: Adding full bibliography for 1543035--1543036.cif.	1543036.cif
182022	2016-04-12	cif/1 Fixing some Z values and formulae	1543036.cif
181817	2016-04-06	cif/ Adding structures of 1543036 via cif-deposit CGI script.	1543036.cif