Crystallography Open Database

Information card for entry 7158309

Preview

Coordinates	7158309.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	221
Formula	C36 H31 Cl N2 O5 S2
Calculated formula	C36 H31 Cl N2 O5 S2
Title of publication	Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.
Authors of publication	Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	40
Pages of publication	8783 - 8788
a	23.2429 ± 0.0006 Å
b	9.7717 ± 0.0002 Å
c	28.6043 ± 0.0007 Å
α	90°
β	94.72 ± 0.002°
γ	90°
Cell volume	6474.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1648
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
270509 (current)	2021-11-06	cif/ Updating files of 7158307, 7158308, 7158309, 7158310, 7158311, 7158312, 7158313 Original log message: Adding full bibliography for 7158307--7158313.cif.	7158309.cif
269236	2021-09-22	cif/ Adding structures of 7158307, 7158308, 7158309, 7158310, 7158311, 7158312, 7158313 via cif-deposit CGI script.	7158309.cif