Crystallography Open Database

Information card for entry 4020125

4020124 << 4020125 >> 4020126

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Coordinates	4020125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 N O
Calculated formula	C20 H21 N O
Authors of publication	Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	1552 - 1557
a	11.1017 ± 0.0003 Å
b	11.9013 ± 0.0004 Å
c	24.0165 ± 0.0007 Å
α	90°
β	101.88 ± 0.002°
γ	90°
Cell volume	3105.21 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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