Crystallography Open Database

Information card for entry 7159023

Preview

Coordinates	7159023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H35 Br F N3 O4 S
Calculated formula	C38 H35 Br F N3 O4 S
Title of publication	Asymmetric synthesis of the perhydroepoxyethanoindole core <i>via</i> sequential [4 + 2]-addition/reduction/fluoroannulation reactions.
Authors of publication	Prasad, Madavi S.; Sivaprakash, Murugesan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	2
Pages of publication	339 - 344
a	11.2594 ± 0.0006 Å
b	17.7861 ± 0.0011 Å
c	17.1349 ± 0.001 Å
α	90°
β	92.839 ± 0.002°
γ	90°
Cell volume	3427.2 ± 0.3 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
281577 (current)	2023-03-04	cif/ Updating files of 7159023 Original log message: Adding full bibliography for 7159023.cif.	7159023.cif
279681	2022-12-03	cif/ Adding structures of 7159023 via cif-deposit CGI script.	7159023.cif