Crystallography Open Database

Information card for entry 7059421

Preview

Coordinates	7059421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H35 N O3
Calculated formula	C24 H35 N O3
SMILES	O(C(=O)C(c1ccccc1)C(=O)N(C1CCCCC1)C1CCCCC1)C(C)C
Title of publication	Infrared spectroscopic detection of ketene formation from carbene and CO sources: an amide synthesis
Authors of publication	Madarasi, Packirisamy Kuzhalmozhi; Sivasankar, Chinnappan
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	21
Pages of publication	8718 - 8727
a	10.2702 ± 0.0008 Å
b	20.6229 ± 0.0013 Å
c	10.9839 ± 0.001 Å
α	90°
β	105.215 ± 0.008°
γ	90°
Cell volume	2244.9 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.117
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1846
Weighted residual factors for all reflections included in the refinement	0.2248
Goodness-of-fit parameter for all reflections included in the refinement	1.0743
Diffraction radiation probe	x-ray
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
298328 (current)	2025-03-07	cif/7: Fixing Z values and formulae	7059421.cif
257872	2020-10-06	cif/ Updating files of 7059421 Original log message: Adding full bibliography for 7059421.cif.	7059421.cif
252894	2020-06-05	cif/ Updating files of 7059421 Original log message: Adding full bibliography for 7059421.cif.	7059421.cif
249649	2020-03-24	cif/ Adding structures of 7059421 via cif-deposit CGI script.	7059421.cif