Crystallography Open Database

Information card for entry 7159202

Preview

Coordinates	7159202.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(ethyl (2E,4E)-6-((2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienamido)-6-methylhepta-2,4-dienoate)
Chemical name	(ethyl (2E,4E)-6-((2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienamido)-6-methylhepta-2,4-dienoate)
Formula	C23 H36 N2 O5
Calculated formula	C23 H36 N2 O5
Title of publication	Stereoselective synthesis of backbone extended π-conjugated amino esters.
Authors of publication	Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	12
Pages of publication	2586 - 2595
a	9.447 ± 0.004 Å
b	7.16 ± 0.003 Å
c	36.118 ± 0.016 Å
α	90°
β	90°
γ	90°
Cell volume	2443 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0956
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1504
Weighted residual factors for all reflections included in the refinement	0.1664
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
283485 (current)	2023-05-05	cif/ Updating files of 7159200, 7159201, 7159202, 7159203, 7159204, 7159205, 7159206, 7159207, 7159208, 7159209 Original log message: Adding full bibliography for 7159200--7159209.cif.	7159202.cif
281256	2023-03-02	cif/ Adding structures of 7159200, 7159201, 7159202, 7159203, 7159204, 7159205, 7159206, 7159207, 7159208, 7159209 via cif-deposit CGI script.	7159202.cif