Crystallography Open Database

Information card for entry 2213101

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Structure parameters

Common name	tetrahydrocarbazole
Chemical name	Methyl 6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazole-2-carboxylate
Formula	C15 H15 N O3
Calculated formula	C15 H15 N O3
SMILES	O=C1C(CCc2c3cc(ccc3[nH]c12)C)C(=O)OC
Title of publication	Methyl 6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazole-2-carboxylate
Authors of publication	A. Thomas Gunaseelan; A. Thiruvalluvar; A. Ebenezer Martin; K. J. Rajendra Prasad
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	5
Pages of publication	o2413 - o2414
a	4.6362 ± 0.0006 Å
b	10.7289 ± 0.0014 Å
c	13.4557 ± 0.0018 Å
α	69.665 ± 0.007°
β	88.411 ± 0.009°
γ	88.287 ± 0.008°
Cell volume	627.2 ± 0.15 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 1 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	0.117
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.162
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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