Crystallography Open Database

Information card for entry 7205624

7205623 << 7205624 >> 7205625

Preview

Coordinates	7205624.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	from C:/data/powder/koshima_ipbp/irr/rietveld/ipbp_irr_rrr.cif
Formula	C31 H37 N O2
Calculated formula	C31 H37 N O2
Title of publication	Metastable polymorphic form of isopropylbenzophenone derivative directly obtained by the solid-state photoreaction investigated by ab initio powder X-ray diffraction analysis
Authors of publication	Fujii, Kotaro; Uekusa, Hidehiro; Fukano, Michitaro; Koshima, Hideko
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	9
Pages of publication	3197
a	20.0585 ± 0.0004 Å
b	9.71812 ± 0.00017 Å
c	13.84077 ± 0.00026 Å
α	90°
β	90°
γ	90°
Cell volume	2697.99 ± 0.09 Å³
Cell temperature	20 K
Ambient diffraction temperature	20 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
RFsqd	0.0957
Goodness-of-fit parameter for all reflections	4.53
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.19751 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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