Crystallography Open Database

Information card for entry 1555953

Preview

Coordinates	1555953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 N3 O3
Calculated formula	C30 H27 N3 O3
SMILES	c12c(cccc1)[C@H]([C@@H](C(=O)O2)CCN(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1.c12c(cccc1)[C@@H]([C@H](C(=O)O2)CCN(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1
Title of publication	Synthesis of Hydrazide-Containing Chroman-2-ones and Dihydroquinolin-2-ones via Photocatalytic Radical Cascade Reaction of Aroylhydrozones.
Authors of publication	Zhao, Yu; Chen, Jia-Rong; Xiao, Wen-Jing
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	24
Pages of publication	6304 - 6307
a	14.279 ± 0.002 Å
b	20.305 ± 0.004 Å
c	9.8589 ± 0.0017 Å
α	90°
β	119.294 ± 0.002°
γ	90°
Cell volume	2492.9 ± 0.7 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
239274 (current)	2019-11-24	cif/ Adding structures of 1555953 via cif-deposit CGI script.	1555953.cif