Crystallography Open Database

Information card for entry 7126355

Preview

Coordinates	7126355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 N2 O3 S2
Calculated formula	C27 H30 N2 O3 S2
Title of publication	Rhodium-catalyzed Sommelet-Hauser type rearrangement of α-diazoimines: synthesis of functionalized enamides.
Authors of publication	Reddy, Angula Chandra Shekar; Ramachandran, Kuppan; Reddy, Palagulla Maheswar; Anbarasan, Pazhamalai
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	42
Pages of publication	5649 - 5652
a	13.557 ± 0.0009 Å
b	15.9431 ± 0.0009 Å
c	12.6454 ± 0.0008 Å
α	90°
β	101.401 ± 0.002°
γ	90°
Cell volume	2679.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1161
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1537
Weighted residual factors for all reflections included in the refinement	0.1988
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
252704 (current)	2020-06-05	cif/ Updating files of 7126355 Original log message: Adding full bibliography for 7126355.cif.	7126355.cif
250515	2020-04-09	cif/ Adding structures of 7126355 via cif-deposit CGI script.	7126355.cif