Crystallography Open Database

Information card for entry 7160128

Preview

Coordinates	7160128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 N O3
Calculated formula	C15 H14 N O3
Title of publication	Brønsted acid-promoted synthesis of highly functionalized tetrahydrocarbazoles from diethyl (<i>E</i>)-5-diazo-4-oxohex-2-enedioate.
Authors of publication	Arunkumar, Vemula; Balamurugan, Rengarajan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	47
Pages of publication	9214 - 9218
a	8.6191 ± 0.0004 Å
b	8.8839 ± 0.0004 Å
c	9.3999 ± 0.0003 Å
α	81.898 ± 0.003°
β	73.226 ± 0.003°
γ	73.495 ± 0.004°
Cell volume	659.38 ± 0.05 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1099
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1824
Weighted residual factors for all reflections included in the refinement	0.2301
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296687 (current)	2024-12-06	cif/ Updating files of 7160128, 7160129, 7160130 Original log message: Adding full bibliography for 7160128--7160130.cif.	7160128.cif
294353	2024-09-04	cif/ Adding structures of 7160128, 7160129, 7160130 via cif-deposit CGI script.	7160128.cif