Crystallography Open Database

Information card for entry 7160129

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Coordinates	7160129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 N2 O4
Calculated formula	C28 H26 N2 O4
Title of publication	Brønsted Acid-Promoted Synthesis of Highly Functionalized Tetrahydrocarbazoles from Diethyl (E)-5-diazo-4-oxohex-2-enedioate
Authors of publication	Arunkumar, Vemula; Balamurugan, Rengarajan
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
a	7.8862 ± 0.0005 Å
b	12.866 ± 0.0012 Å
c	12.9041 ± 0.0013 Å
α	109.715 ± 0.009°
β	97.202 ± 0.007°
γ	106.377 ± 0.007°
Cell volume	1146.8 ± 0.2 Å³
Cell temperature	295.83 K
Ambient diffraction temperature	295.83 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	0.3194
Residual factor for significantly intense reflections	0.1744
Weighted residual factors for significantly intense reflections	0.397
Weighted residual factors for all reflections included in the refinement	0.5818
Goodness-of-fit parameter for all reflections included in the refinement	1.198
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

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