Crystallography Open Database

Information card for entry 4020011

4020010 << 4020011 >> 4020012

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Coordinates	4020011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H15 N O3
Calculated formula	C10 H15 N O3
Authors of publication	Mingshi Dai; Xuqing Zhang; Seock-Kyu Khim; Arthur G. Schultz
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	384 - 387
a	10.6675 ± 0.0004 Å
b	11.0586 ± 0.0005 Å
c	16.5092 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1947.55 ± 0.14 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	4
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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