Crystallography Open Database

Information card for entry 7159854

Preview

Coordinates	7159854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H70 N6 O6 S2
Calculated formula	C72 H70 N6 O6 S2
Title of publication	Diversity-oriented synthesis of indole-fused scaffolds and bis(indolyl)methane from tosyl-protected tryptamine.
Authors of publication	Wang, Liang; Song, Xiaopei; Guo, Fengxia; Xu, Lubin; Hu, Fangzhi; Guo, Feng-Wei; Li, Shuai-Shuai
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	14
Pages of publication	2824 - 2834
a	17.2157 ± 0.0004 Å
b	9.9039 ± 0.0002 Å
c	18.6383 ± 0.0004 Å
α	90°
β	99.352 ± 0.002°
γ	90°
Cell volume	3135.64 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
291048 (current)	2024-04-05	cif/ Updating files of 7159853, 7159854 Original log message: Adding full bibliography for 7159853--7159854.cif.	7159854.cif
290603	2024-03-23	cif/ Adding structures of 7159853, 7159854 via cif-deposit CGI script.	7159854.cif