Crystallography Open Database

Information card for entry 7241444

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Coordinates	7241444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.5 H49 N5 O9 S
Calculated formula	C31.5 H49 N5 O9 S
Title of publication	Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe
Authors of publication	Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao
Journal of publication	CrystEngComm
Year of publication	2020
a	8.2771 ± 0.0001 Å
b	11.408 ± 0.0003 Å
c	19.4068 ± 0.0004 Å
α	89.945 ± 0.002°
β	79.642 ± 0.001°
γ	88.733 ± 0.002°
Cell volume	1802.18 ± 0.06 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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