Crystallography Open Database

Information card for entry 4037473

Preview

Structure parameters

Formula	C26 H35 N O4
Calculated formula	C26 H35 N O4
SMILES	O(c1c(C(c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)CC#N)cc(OC)c(OC)c1)C
Title of publication	Synthesis of Amides and Nitriles from Vinyl Azides and p-Quinone Methides.
Authors of publication	Lin, Chen; Shen, Yangyong; Huang, Bo; Liu, Yu; Cui, Sunliang
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	7
Pages of publication	3950 - 3956
a	14.837 ± 0.002 Å
b	10.7069 ± 0.0016 Å
c	16.375 ± 0.003 Å
α	90°
β	110.019 ± 0.003°
γ	90°
Cell volume	2444.1 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.0955
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4037473.cif
236211	2019-11-24	cif/ Adding structures of 4037473 via cif-deposit CGI script.	4037473.cif