Crystallography Open Database

Information card for entry 7157297

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Structure parameters

Formula	C18 H18 Br N O4 S
Calculated formula	C18 H18 Br N O4 S
Title of publication	Base-mediated intramolecular one-pot double-cyclization of epoxide-tethered 2-fluorobenzenesulfonamides: an avenue to 1,4-benzoxazine-fused benzothiaoxazepine-1,1-dioxides.
Authors of publication	Das, Jonali; Borah, Biraj Jyoti; Das, Sajal Kumar
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	2
Pages of publication	220 - 224
a	18.5372 ± 0.0006 Å
b	18.5372 ± 0.0006 Å
c	10.495 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3606.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0558
Weighted residual factors for all reflections included in the refinement	0.061
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7157297.cif
247822	2020-02-04	cif/ Updating files of 7157297 Original log message: Adding full bibliography for 7157297.cif.	7157297.cif
246402	2020-01-01	cif/ Adding structures of 7157297 via cif-deposit CGI script.	7157297.cif