Crystallography Open Database

Information card for entry 7121179

Preview

Coordinates	7121179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 N O4
Calculated formula	C24 H23 N O4
SMILES	C1Cc2ccccc2c2c(c3ccccc3n12)C=C(C(=O)OCC)C(=O)OCC
Title of publication	Relay photocatalytic cascade reactions: synthesis of indolo[2,1-a]isoquinoline derivatives via double C(sp<sup>3</sup>)-H bond functionalization.
Authors of publication	Cheng, Jian; Xie, Jin; Zhu, Chengjian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	13
Pages of publication	1655 - 1658
a	9.593 ± 0.01 Å
b	8 ± 0.008 Å
c	13.517 ± 0.014 Å
α	90°
β	103.143 ± 0.019°
γ	90°
Cell volume	1010.2 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0476
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
228385 (current)	2019-11-17	cif/ Updating files of 7121179 Original log message: Adding full bibliography for 7121179.cif.	7121179.cif
205476	2018-01-23	cif/ Adding structures of 7121179 via cif-deposit CGI script.	7121179.cif