Crystallography Open Database

Information card for entry 7159745

Preview

Coordinates	7159745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 N2 O3.97 S0.98
Calculated formula	C28 H22 N2 O3.966 S0.983
Title of publication	Synthesis of benzimidazole-fused 1,4-benzoxazepines and benzosultams spiro-connected to a 2-oxindole core <i>via</i> a tandem epoxide-opening/S<sub>N</sub>Ar approach.
Authors of publication	Gogoi, Abhijit; Mukhopadhyay, Subhamoy; Chouhan, Raju; Das, Sajal Kumar
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	2
Pages of publication	353 - 363
a	11.3157 ± 0.0015 Å
b	17.7 ± 0.003 Å
c	12.6167 ± 0.0018 Å
α	90°
β	111.045 ± 0.004°
γ	90°
Cell volume	2358.4 ± 0.6 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.1113
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	0.915
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289629 (current)	2024-02-04	cif/ Updating files of 7159744, 7159745 Original log message: Adding full bibliography for 7159744--7159745.cif.	7159745.cif
288669	2024-01-04	cif/ Adding structures of 7159744, 7159745 via cif-deposit CGI script.	7159745.cif