Crystallography Open Database

Information card for entry 1574934

Preview

Coordinates	1574934.cif
Original IUCr paper	HTML

Structure parameters

Common name	Methyl 3-[(tert-butoxycarbonyl)amino]benzoate
Chemical name	Methyl 3-[(tert-butoxycarbonyl)amino]benzoate
Formula	C13 H17 N O4
Calculated formula	C13 H17 N O4
Title of publication	Methyl 3-[(tert-butoxycarbonyl)amino]benzoate
Authors of publication	Ponmagaram, Murugesan; Saranraj, Krishnan; Raja, Karuppiah Muruga Poopathi
Journal of publication	IUCrData
Year of publication	2025
Journal volume	10
Journal issue	6
Pages of publication	x250542
a	10.944 ± 0.003 Å
b	11.234 ± 0.003 Å
c	11.377 ± 0.003 Å
α	90°
β	112.481 ± 0.004°
γ	90°
Cell volume	1292.4 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0999
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1574934.cif
300231	2025-06-26	cif/ Adding structures of 1574934 via cif-deposit CGI script.	1574934.cif