Crystallography Open Database

Information card for entry 7157680

Preview

Coordinates	7157680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H32 F N7 O5 S
Calculated formula	C26 H28 F N7 O4 S
Title of publication	Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.
Authors of publication	Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	35
Pages of publication	6905 - 6911
a	17.9516 ± 0.0012 Å
b	16.7643 ± 0.0011 Å
c	19.6754 ± 0.0013 Å
α	90°
β	112.959 ± 0.001°
γ	90°
Cell volume	5452.2 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.0709
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
258973 (current)	2020-11-06	cif/ Updating files of 7157677, 7157678, 7157679, 7157680 Original log message: Adding full bibliography for 7157677--7157680.cif.	7157680.cif
255600	2020-08-24	cif/ Adding structures of 7157677, 7157678, 7157679, 7157680 via cif-deposit CGI script.	7157680.cif