Crystallography Open Database

Information card for entry 7251019

Preview

Coordinates	7251019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 N3 O
Calculated formula	C27 H21 N3 O
Title of publication	An unexpected transition-metal free regioselective cyclization of alkynyl-tethered indoles to prepare indole-fused azepino[2,1-b]quinazolinones and spiroindole-pyrrolo[2,1-b]quinazolinones
Authors of publication	Zou, Pei-Sen; Geng, Yi-Fan; Liu, Xiao-Qing; Su, Jun-Cheng; Pan, Cheng-Xue; Mo, Dong-Liang; Su, Gui-Fa
Journal of publication	Green Chemistry
Year of publication	2025
Journal volume	27
Journal issue	45
Pages of publication	14556 - 14563
a	17.309 ± 0.0003 Å
b	12.0431 ± 0.0001 Å
c	20.6182 ± 0.0003 Å
α	90°
β	105.402 ± 0.001°
γ	90°
Cell volume	4143.59 ± 0.1 Å³
Cell temperature	294.7 ± 0.3 K
Ambient diffraction temperature	294.7 ± 0.3 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
303842 (current)	2025-11-29	cif/ Updating files of 7251019, 7251020 Original log message: Adding full bibliography for 7251019--7251020.cif.	7251019.cif
302902	2025-10-16	cif/ Adding structures of 7251019, 7251020 via cif-deposit CGI script.	7251019.cif