Crystallography Open Database

Information card for entry 8106988

Preview

Coordinates	8106988.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-ethyl-1-tert-butyl 3-oxo-2-[phenyl(tert-butoxycarbonylamino)methyl]-1,2-pyrrolidinedicarboxylate
Formula	C24 H34 N2 O7
Calculated formula	C24 H34 N2 O7
Title of publication	Crystal structure of 2-ethyl-1-tert-butyl 3-oxo-2-[phenyl(tert-butoxycarbonylamino)methyl]-1,2-pyrrolidinedicarboxylate, C24H34N2O7
Authors of publication	Makhathini, Sifiso. S.; Samipillai, Marivel; Kruger, Hendrik G.; Govender, Thavendran; Naicker, Tricia
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	725 - 727
a	9.9562 ± 0.0008 Å
b	10.7465 ± 0.0009 Å
c	13.7925 ± 0.0011 Å
α	95.143 ± 0.004°
β	109.97 ± 0.003°
γ	112.229 ± 0.004°
Cell volume	1242.62 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1337
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
282050 (current)	2023-03-24	cif/ Adding structures of 8106988 via cif-deposit CGI script.	8106988.cif