Crystallography Open Database

Information card for entry 2200148

2200147 << 2200148 >> 2200149

Preview

Coordinates	2200148.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	6,9-Methano-4-methyl-3a,4,5a,6,9,10-hexahydro-5-oxa-1H,3H-furano[3,4-c]- isoindol-3-one
Formula	C11 H13 N O3
Calculated formula	C11 H13 N O3
SMILES	O1C[C@]23[C@H](ON([C@@H]2C1=O)C)[C@H]1C=C[C@@H]3C1.O1C[C@@]23[C@@H](ON([C@H]2C1=O)C)[C@@H]1C=C[C@H]3C1
Title of publication	6,9-Methano-4-methyl-3a,4,5a,6,9,10-hexahydro-5-oxa-1<i>H</i>,3<i>H</i>-furano[3,4-<i>c</i>]isoindol-3-one
Authors of publication	Tam, William; Tranmer, Geoffrey K.; Lough, Alan J.
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	3
Pages of publication	o269 - o270
a	8.6209 ± 0.0002 Å
b	13.9266 ± 0.0004 Å
c	16.4518 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1975.2 ± 0.1 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.043
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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