Crystallography Open Database

Information card for entry 7062949

Preview

Coordinates	7062949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H32 N4 O2
Calculated formula	C23 H32 N4 O2
SMILES	O1c2n(c3c(c2C(=O)NC(C)(C)C)cccc3)/C(=N/C(C)(C)C)/C1=N/C(C)(C)C
Title of publication	Synthesis of N-fused polycyclic indoles via a Pd-catalyzed multicomponent cascade reaction consisting of an amide-directed [3+1+1] annulation reaction of 3-diazo oxindole and isocyanides
Authors of publication	Soam, Pooja; Mandal, Debasish; Tyagi, Vikas
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	6
Pages of publication	2639 - 2648
a	9.59358 ± 0.00018 Å
b	10.5593 ± 0.0002 Å
c	11.9248 ± 0.0003 Å
α	103.814 ± 0.0019°
β	97.5949 ± 0.0017°
γ	98.8737 ± 0.0017°
Cell volume	1140.9 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0698
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.126
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
290241 (current)	2024-03-04	cif/ Updating files of 7062949 Original log message: Adding full bibliography for 7062949.cif.	7062949.cif
288711	2024-01-06	cif/ Adding structures of 7062949 via cif-deposit CGI script.	7062949.cif