Crystallography Open Database

Information card for entry 7155341

Preview

Coordinates	7155341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H44 N2 O7
Calculated formula	C39 H44 N2 O7
SMILES	N1(C(=O)[C@@]2(c3ccccc13)[C@@H](C(=CN1CCc3cc(OC)c(OC)cc3[C@H]21)Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Title of publication	Enantioselective synthesis of spirooxindole benzoquinolizines via organo-catalyzed cascade reactions.
Authors of publication	Tan, Yu; Feng, Er-Lu; Sun, Qiang-Sheng; Lin, Hua; Sun, Xun; Lin, Guo-Qiang; Sun, Xing-Wen
Journal of publication	Organic & biomolecular chemistry
Year of publication	2017
Journal volume	15
Journal issue	4
Pages of publication	778 - 781
a	22.0361 ± 0.001 Å
b	8.9726 ± 0.0004 Å
c	18.4215 ± 0.0008 Å
α	90°
β	98.967 ± 0.003°
γ	90°
Cell volume	3597.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.0977
Weighted residual factors for significantly intense reflections	0.2925
Weighted residual factors for all reflections included in the refinement	0.3097
Goodness-of-fit parameter for all reflections included in the refinement	1.334
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
191731 (current)	2017-02-04	cif/ Updating files of 7155340, 7155341 Original log message: Adding full bibliography for 7155340--7155341.cif.	7155341.cif
187643	2016-10-28	cif/ Adding structures of 7155340, 7155341 via cif-deposit CGI script.	7155341.cif