Crystallography Open Database

Information card for entry 2208541

2208540 << 2208541 >> 2208542

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Structure parameters

Chemical name	methylcyclopentane
Formula	C6 H12
Calculated formula	C6 H12
SMILES	C1(CCCC1)C
Title of publication	Methylcyclopentane
Authors of publication	Bream, Richard; Watkin, David; Cowley, Andrew
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	4
Pages of publication	o1211 - o1212
a	5.3934 ± 0.0002 Å
b	11.1439 ± 0.0005 Å
c	9.7047 ± 0.0005 Å
α	90°
β	98.0288 ± 0.0017°
γ	90°
Cell volume	577.57 ± 0.04 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for all reflections	0.0965
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	0.9363
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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