Crystallography Open Database

Information card for entry 1573064

Preview

Coordinates	1573064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 N O4
Calculated formula	C17 H19 N O4
SMILES	O1c2c3[C@]4(C=C[C@@H](O)C[C@@H]14)CC(=O)N(Cc3ccc2OC)C.O1c2c3[C@@]4(C=C[C@H](O)C[C@H]14)CC(=O)N(Cc3ccc2OC)C
Title of publication	Total synthesis of atropodiastereomers of heterodimeric <i>Amaryllidaceae</i> alkaloids: narcipavline and narcikachnine.
Authors of publication	Pal, Souvik; Majumder, Satyajit; Niyogi, Sovan; Shyamal, Pranay; Mondal, Debabrata; Das, Bishnu; Bisai, Alakesh
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	47
Pages of publication	19851 - 19857
a	9.7354 ± 0.0002 Å
b	15.3138 ± 0.0002 Å
c	9.9359 ± 0.0002 Å
α	90°
β	105.393 ± 0.002°
γ	90°
Cell volume	1428.17 ± 0.05 Å³
Cell temperature	100.01 ± 0.15 K
Ambient diffraction temperature	100.01 ± 0.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
296342 (current)	2024-12-06	cif/ Updating files of 1573064, 1573065, 1573066 Original log message: Adding full bibliography for 1573064--1573066.cif.	1573064.cif
295782	2024-11-06	cif/ Adding structures of 1573064, 1573065, 1573066 via cif-deposit CGI script.	1573064.cif