Crystallography Open Database

Information card for entry 7157038

Preview

Coordinates	7157038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H39 N O9 S
Calculated formula	C39 H39 N O9 S
Title of publication	Exploitation of donor-acceptor cyclopropanes and N-sulfonyl 1-azadienes towards the synthesis of spiro-cyclopentane benzofuran derivatives.
Authors of publication	Verma, Kamal; Taily, Irshad Maajid; Banerjee, Prabal
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	35
Pages of publication	8149 - 8152
a	17.483 ± 0.005 Å
b	8.483 ± 0.005 Å
c	24.544 ± 0.005 Å
α	90 ± 0.005°
β	97.103 ± 0.005°
γ	90 ± 0.005°
Cell volume	3612 ± 2 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	0.1927
Residual factor for significantly intense reflections	0.1027
Weighted residual factors for significantly intense reflections	0.1496
Weighted residual factors for all reflections included in the refinement	0.1748
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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
225275 (current)	2019-11-08	cif/ Updating files of 7157038, 7157039 Original log message: Adding full bibliography for 7157038--7157039.cif.	7157038.cif
217572	2019-08-17	cif/ Adding structures of 7157038, 7157039 via cif-deposit CGI script.	7157038.cif