Crystallography Open Database

Information card for entry 4032074

4032073 << 4032074 >> 4032075

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Coordinates	4032074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H34 N2 O3
Calculated formula	C27 H34 N2 O3
Title of publication	Characterization of the synthetic cannabinoid MDMB-CHMCZCA
Authors of publication	Weber, Carina; Pusch, Stefan; Schollmeyer, Dieter; Münster-Müller, Sascha; Pütz, Michael; Opatz, Till
Journal of publication	Beilstein Journal of Organic Chemistry
Year of publication	2016
Journal volume	12
Pages of publication	2808
a	5.6166 ± 0.0002 Å
b	13.392 ± 0.0005 Å
c	31.5475 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2372.92 ± 0.15 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0923
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.165
Weighted residual factors for all reflections included in the refinement	0.2109
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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