Crystallography Open Database

Information card for entry 7119687

7119686 << 7119687 >> 7119688

Preview

Structure parameters

Formula	C17 H19 N O7
Calculated formula	C17 H19 N O7
SMILES	N1C(=O)c2cc3OCOc3cc2[C@H]2[C@H](O)[C@H](O)[C@H]3OC(O[C@H]3[C@H]12)(C)C
Title of publication	Asymmetric cinnamylation of N-tert-butanesulfinyl imines with cinnamyl acetates: total syntheses of (+)-lycoricidine and (+)-7-deoxypancratistatin.
Authors of publication	Cai, Sen-Lin; Yuan, Bin-Hua; Jiang, Yi-Xiang; Lin, Guo-Qiang; Sun, Xing-Wen
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	25
Pages of publication	3520 - 3523
a	19.5766 ± 0.0015 Å
b	8.3899 ± 0.0007 Å
c	9.3442 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1534.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7119687.cif
194972	2017-04-05	cif/ Updating files of 7119686, 7119687 Original log message: Adding full bibliography for 7119686--7119687.cif.	7119687.cif
192386	2017-02-21	cif/ Adding structures of 7119686, 7119687 via cif-deposit CGI script.	7119687.cif