Crystallography Open Database

Information card for entry 4037300

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Coordinates	4037300.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H26 N2 O3
Calculated formula	C23 H26 N2 O3
Title of publication	Synthesis of Substituted 2,3-Benzodiazepines.
Authors of publication	Chan, Chieh-Kai; Tsai, Yu-Lin; Chan, Yi-Ling; Chang, Meng-Yang
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	20
Pages of publication	9836 - 9847
a	8.4384 ± 0.0006 Å
b	11.0458 ± 0.0008 Å
c	12.1243 ± 0.0008 Å
α	70.841 ± 0.002°
β	77.317 ± 0.002°
γ	86.918 ± 0.002°
Cell volume	1041.25 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.071
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1461
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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