Crystallography Open Database

Information card for entry 2202573

2202572 << 2202573 >> 2202574

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2202573.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	N-(2-naphthyloxymethylcarbonyl)pyrrolidine
Formula	C16 H17 N O2
Calculated formula	C16 H17 N O2
SMILES	O(c1cc2ccccc2cc1)CC(=O)N1CCCC1
Title of publication	<i>N</i>-(2-Naphthyloxymethylcarbonyl)pyrrolidine
Authors of publication	Thamotharan, S.; Parthasarathi, V.; Gupta, P.; Jindal, D.P.; Piplani, P.; Linden, Anthony
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	9
Pages of publication	o1334 - o1335
a	10.6427 ± 0.0002 Å
b	8.8035 ± 0.0002 Å
c	14.4306 ± 0.0002 Å
α	90°
β	110.974 ± 0.0011°
γ	90°
Cell volume	1262.47 ± 0.04 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 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	0.0719
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1307
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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