Crystallography Open Database

Information card for entry 2012046

2012045 << 2012046 >> 2012047

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Coordinates	2012046.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Methyl β-carboline-3-carboxylate.
Formula	C13 H10 N2 O2
Calculated formula	C13 H10 N2 O2
Title of publication	Form II of monoclinic methyl β-carboline-3-carboxylate
Authors of publication	Kubicki, Maciej; Codding, Penelope W.
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	6
Pages of publication	728 - 729
a	9.655 ± 0.0005 Å
b	20.8077 ± 0.0008 Å
c	11.0793 ± 0.0005 Å
α	90°
β	102.388 ± 0.005°
γ	90°
Cell volume	2173.99 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.219
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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