Crystallography Open Database

Information card for entry 1552589

Preview

Coordinates	1552589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 N O6
Calculated formula	C21 H21 N O6
SMILES	O1[C@@H](OC)c2c3OCOc3ccc2[C@@H]1[C@H]1N(CCc2c1cc1OCOc1c2)C
Title of publication	Phthalideisoquinoline Hemiacetal Alkaloids from <i>Corydalis decumbens</i> That Inhibit Spontaneous Calcium Oscillations, Including Alkyl Derivatives of (+)-Egenine That Are Strikingly Levorotatory.
Authors of publication	Zhang, Chun-Lei; Huang, Qi-Long; Chen, Juan; Zhang, Wan-Jin; Jin, Hai-Xiao; Wang, Hong-Bo; Naman, C. Benjamin; Cao, Zheng-Yu
Journal of publication	Journal of natural products
Year of publication	2019
Journal volume	82
Journal issue	10
Pages of publication	2713 - 2720
a	7.21184 ± 0.00012 Å
b	8.2575 ± 0.00015 Å
c	29.7262 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1770.25 ± 0.05 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0351
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
222110 (current)	2019-11-04	cif/ Adding structures of 1552589 via cif-deposit CGI script.	1552589.cif