Crystallography Open Database

Information card for entry 8105071

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Coordinates	8105071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H21 Br F N O4
Calculated formula	C16 H21 Br F N O4
Title of publication	The crystal structure of tert-butyl (tert-butoxy(oxo)methyl)(5-bromo-2-fluorophenyl)carbamate, C16H21BrFNO4
Authors of publication	Ji, Chun; Qin, Yu-Mei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	245 - 246
a	9.0896 ± 0.0004 Å
b	10.8609 ± 0.0004 Å
c	18.5637 ± 0.0008 Å
α	90°
β	99.505 ± 0.001°
γ	90°
Cell volume	1807.47 ± 0.13 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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