Crystallography Open Database

Information card for entry 8107329

Preview

Coordinates	8107329.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tert-butyl 2-(4-(12-bromo [2.2] Paracyclophanyl) carbamoyl) pyrrolidine-1-carboxylate
Formula	C26 H31 Br N2 O3
Calculated formula	C26 H31 Br N2 O3
Title of publication	The crystal structure of tert-butyl 2-(4-(12-bromo [2.2]paracyclophanyl)carbamoyl)pyrrolidine-1-carboxylate, C26H31BrN2O3
Authors of publication	Zhen, Chen; Yanwen, Sun; Yingying, Meng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	6
Pages of publication	1185 - 1187
a	11.01 ± 0.01 Å
b	13.227 ± 0.012 Å
c	16.458 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	2397 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1
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
284424 (current)	2023-06-09	cif/ Adding structures of 8107329 via cif-deposit CGI script.	8107329.cif