Crystallography Open Database

Information card for entry 7121113

Preview

Coordinates	7121113.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	YQZ-132-A
Chemical name	(3S,4a'R,5a'S)-6-methoxy-1'-methyl-4',4a',5',5a',7',8'-hexahydro-3'H,10'H-spiro[indoline-3,6'-pyrano[3,4-f]indolizine]-2,10'-dione
Formula	C20 H22 N2 O4
Calculated formula	C20 H22 N2 O4
SMILES	O=C1Nc2cc(OC)ccc2[C@@]21CCN1[C@H]2C[C@@H]2CCOC(=C2C1=O)C
Title of publication	Nine-step total synthesis of (-)-strychnofoline.
Authors of publication	Yu, Qingzhen; Guo, Pan; Jian, Jie; Chen, Yuye; Xu, Jing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	9
Pages of publication	1125 - 1128
a	6.41 ± 0.0004 Å
b	12.0057 ± 0.0009 Å
c	22.2391 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1711.4 ± 0.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
228403 (current)	2019-11-17	cif/ Updating files of 7121113 Original log message: Adding full bibliography for 7121113.cif.	7121113.cif
204952	2018-01-09	cif/ Adding structures of 7121113 via cif-deposit CGI script.	7121113.cif