Crystallography Open Database

Information card for entry 7157672

Preview

Coordinates	7157672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H32 Br Cl3 N2 O3 S
Calculated formula	C35 H32 Br Cl3 N2 O3 S
Title of publication	Tandem Prins cyclization for the synthesis of indole fused spiro-1,4-diazocane scaffolds.
Authors of publication	Rapelli, Chandrashekhar; Sridhar, Balasubramanian; Subba Reddy, B. V.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	34
Pages of publication	6710 - 6715
a	9.5464 ± 0.0003 Å
b	11.3522 ± 0.0003 Å
c	16.3209 ± 0.0005 Å
α	79.8713 ± 0.0009°
β	82.8439 ± 0.001°
γ	76.7777 ± 0.001°
Cell volume	1688.44 ± 0.09 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1317
Residual factor for significantly intense reflections	0.0939
Weighted residual factors for significantly intense reflections	0.2284
Weighted residual factors for all reflections included in the refinement	0.2488
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
256179 (current)	2020-09-06	cif/ Updating files of 7157672 Original log message: Adding full bibliography for 7157672.cif.	7157672.cif
255440	2020-08-19	cif/ Adding structures of 7157672 via cif-deposit CGI script.	7157672.cif