Crystallography Open Database

Information card for entry 2205152

2205151 << 2205152 >> 2205153

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Structure parameters

Chemical name	(1R,2R)-Ethyl 1-azido-2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-9-carboxylate
Formula	C14 H14 N4 O3
Calculated formula	C14 H14 N4 O3
SMILES	[C@@H]1([C@@H](Cn2c3ccccc3c(c12)C(=O)OCC)O)N=N#N
Title of publication	(1<i>R</i>,2<i>R</i>)-Ethyl 1-azido-2-hydroxy-2,3-dihydro-1<i>H</i>-pyrrolo[1,2-<i>a</i>]indole-9-carboxylate
Authors of publication	Fernandes, Manuel A.; Koning, Charles B. de; Michael, Joseph P.; Petersen, Riaan L.
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	2
Pages of publication	o269 - o271
a	5.8464 ± 0.0009 Å
b	8.8422 ± 0.0014 Å
c	26.927 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1392 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0535
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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