Crystallography Open Database

Information card for entry 1569307

Preview

Coordinates	1569307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H14 I3 N
Calculated formula	C11 H14 I3 N
Title of publication	Construction of pyrroles, furans and thiophenes <i>via</i> intramolecular cascade desulfonylative/dehydrogenative cyclization of vinylidenecyclopropanes induced by NXS (X = I or Br).
Authors of publication	Meng, Zhe; Yan, Jun; Ning, Chao; Shi, Min; Wei, Yin
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	28
Pages of publication	7648 - 7655
a	8.6649 ± 0.0008 Å
b	8.8569 ± 0.0008 Å
c	9.8661 ± 0.0009 Å
α	84.893 ± 0.003°
β	88.222 ± 0.003°
γ	84.477 ± 0.003°
Cell volume	750.47 ± 0.12 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	0.0873
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.246
Weighted residual factors for all reflections included in the refinement	0.2527
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
286032 (current)	2023-09-05	cif/ Updating files of 1569307, 1569308 Original log message: Adding full bibliography for 1569307--1569308.cif.	1569307.cif
284565	2023-06-29	cif/ Adding structures of 1569307, 1569308 via cif-deposit CGI script.	1569307.cif