Crystallography Open Database

Information card for entry 7128948

Preview

Coordinates	7128948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 N O7
Calculated formula	C27 H29 N O7
SMILES	O1c2ccccc2[C@H]2NC(C[C@H]2[C@@H]1/C=C/C(=O)OCc1ccccc1)(C(=O)OCC)C(=O)OCC.O1c2ccccc2[C@@H]2NC(C[C@@H]2[C@H]1/C=C/C(=O)OCc1ccccc1)(C(=O)OCC)C(=O)OCC
Title of publication	Phosphine-catalyzed sequential (2+3)/(2+4) annulation of γ-vinyl allenoates: access to the synthesis of chromeno[4,3-<i>b</i>]pyrroles.
Authors of publication	Li, Xiaohu; Huang, You
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	77
Pages of publication	9934 - 9937
a	10.7992 ± 0.0006 Å
b	10.9972 ± 0.0005 Å
c	11.7181 ± 0.0007 Å
α	93.977 ± 0.004°
β	106.212 ± 0.005°
γ	112.74 ± 0.005°
Cell volume	1207.49 ± 0.13 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 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	0.0664
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269625 (current)	2021-10-06	cif/ Updating files of 7128948 Original log message: Adding full bibliography for 7128948.cif.	7128948.cif
269061	2021-09-10	cif/ Adding structures of 7128948 via cif-deposit CGI script.	7128948.cif