Crystallography Open Database

Information card for entry 1555224

Preview

Coordinates	1555224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H36 N2 O9
Calculated formula	C41 H36 N2 O9
SMILES	O1COc2ccc3c4ccc5c(cc6OCOc6c5)c4N([C@H](c3c12)[C@@H]1c2c(CN(CCc3c(cc4OCOc4c3)C1=O)C)c(OC)c(OC)cc2)C.O1COc2ccc3c4ccc5c(cc6OCOc6c5)c4N([C@@H](c3c12)[C@H]1c2c(CN(CCc3c(cc4OCOc4c3)C1=O)C)c(OC)c(OC)cc2)C
Title of publication	Two Pairs of Enantiomeric Alkaloid Dimers from Macleaya cordata.
Authors of publication	Sai, Chun-Mei; Li, Da-Hong; Xue, Chun-Mei; Wang, Kai-Bo; Hu, Ping; Pei, Yue-Hu; Bai, Jiao; Jing, Yong-Kui; Li, Zhan-Lin; Hua, Hui-Ming
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	16
Pages of publication	4102 - 4105
a	19.0503 ± 0.0004 Å
b	11.68507 ± 0.00017 Å
c	14.8134 ± 0.0003 Å
α	90°
β	92.939 ± 0.0019°
γ	90°
Cell volume	3293.19 ± 0.11 Å³
Cell temperature	102.3 K
Ambient diffraction temperature	102.3 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238404 (current)	2019-11-24	cif/ Adding structures of 1555224 via cif-deposit CGI script.	1555224.cif