Crystallography Open Database

Information card for entry 7057887

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Coordinates	7057887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 N2 O3
Calculated formula	C16 H18 N2 O3
Title of publication	One-pot synthesis of novel functionalized benzodiazepines via three-component or domino reactions
Authors of publication	Sun, Yue-Wei; Wang, Lan-Zhi
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	24
Pages of publication	20032
a	7.235 ± 0.005 Å
b	11.39 ± 0.008 Å
c	18.119 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	1493.1 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0982
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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